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9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name:9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate
Openeye Name:9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-hydroxy-4-oxo-but-2-enoate
CAS Name:9,9-dimethyl-10-[3-[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]propyl]acridine; (Z)-4-hydroxy-4-oxo-2-butenoate
IUPAC Name:9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-hydroxy-4-oxobut-2-enoate
Traditional Name:9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-hydroxy-4-keto-but-2-enoate
Formula: C35H45N3O8
MolecularWeight: 635.7471
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCC[NH+]4CCC(CC4)[NH+]5CCCC5)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O


Isomeric SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C13)CCC[NH+]4CCC(CC4)[NH+]5CCCC5)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O


InChI

InChI=1S/C27H37N3.2C4H4O4/c1-27(2)23-10-3-5-12-25(23)30(26-13-6-4-11-24(26)27)19-9-16-28-20-14-22(15-21-28)29-17-7-8-18-29;2*5-3(6)1-2-4(7)8/h3-6,10-13,22H,7-9,14-21H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-


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