[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H26N4O3/c29-23(28-13-11-27(12-14-28)22-7-3-4-10-25-22)16-31-24(30)17-8-9-21-19(15-17)18-5-1-2-6-20(18)26-21/h3-4,7-10,15,26H,1-2,5-6,11-14,16H2/p+1