1-[3-(9,9-dimethylacridin-10-yl)-2-methyl-propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-[3-(9,9-dimethylacridin-10-yl)-2-methyl-propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-[3-(9,9-dimethylacridin-10-yl)-2-methyl-propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-[3-(9,9-dimethyl-10-acridinyl)-2-methylpropyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-[3-(9,9-dimethylacridin-10-yl)-2-methylpropyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-[3-(9,9-dimethylacridin-10-yl)-2-methyl-propyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C38H50N4O9 MolecularWeight: 706.825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)(C(=O)N)[NH+]2CCCCC2)CN3C4=CC=CC=C4C(C5=CC=CC=C53)(C)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2C(C3=CC=CC=C13)(C)C)C[NH+]4CCC(CC4)([NH+]5CCCCC5)C(=O)N.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C30H42N4O.2C4H4O4/c1-23(21-32-19-15-30(16-20-32,28(31)35)33-17-9-4-10-18-33)22-34-26-13-7-5-11-24(26)29(2,3)25-12-6-8-14-27(25)34;2*5-3(6)1-2-4(7)8/h5-8,11-14,23H,4,9-10,15-22H2,1-3H3,(H2,31,35);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-