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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: (6S)-6-methyl-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] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H28N4O3/c1-17-5-7-21-19(14-17)20-15-18(6-8-22(20)27-21)25(31)32-16-24(30)29-12-10-28(11-13-29)23-4-2-3-9-26-23/h2-4,6,8-9,15,17,27H,5,7,10-14,16H2,1H3/p+1/t17-/m0/s1