10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium diethanoate

Systemtic Name: 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium diethanoate Openeye Name: 10-methoxy-7-methyl-2-[2-(1-piperidyl)ethyl]pyrido[4,3-c]carbazol-2-ium diacetate CAS Name: 10-methoxy-7-methyl-2-[2-(1-piperidinyl)ethyl]pyrido[4,3-c]carbazol-2-ium diacetate IUPAC Name: 10-methoxy-7-methyl-2-(2-piperidin-1-ylethyl)pyrido[4,3-c]carbazol-2-ium diacetate Traditional Name: 10-methoxy-7-methyl-2-(2-piperidinoethyl)pyrido[4,3-c]carbazol-2-ium diacetate Formula: C52H62N6O6 MolecularWeight: 867.08528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5.CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5.CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C=[N+](C=C4)CCN5CCCCC5

InChI

InChI=1S/2C24H28N3O.2C2H4O2/c2*1-25-22-9-7-19(28-2)16-20(22)24-21-17-27(13-10-18(21)6-8-23(24)25)15-14-26-11-4-3-5-12-26;2*1-2(3)4/h2*6-10,13,16-17H,3-5,11-12,14-15H2,1-2H3;2*1H3,(H,3,4)/q2*+1;;/p-2