3-methyl-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2/c1-16-20-18(8-5-9-19(20)27)24-21(16)22(28)23-10-11-25-12-14-26(15-13-25)17-6-3-2-4-7-17/h2-4,6-7,24H,5,8-15H2,1H3,(H,23,28)/p+1