1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanoyl]-2,3-dihydroindol-1-ium-1-carboxamide

Systemtic Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanoyl]-2,3-dihydroindol-1-ium-1-carboxamide Openeye Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]indolin-1-ium-1-carboxamide CAS Name: 1-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]-2,3-dihydroindol-1-ium-1-carboxamide IUPAC Name: 1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]-2,3-dihydroindol-1-ium-1-carboxamide Traditional Name: 1-[2-[4-(4-chlorobenzyl)piperazino]acetyl]indolin-1-ium-1-carboxamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=CC=CC=C21)(C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1C[N+](C2=CC=CC=C21)(C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C22H25ClN4O2/c23-19-7-5-17(6-8-19)15-25-10-12-26(13-11-25)16-21(28)27(22(24)29)14-9-18-3-1-2-4-20(18)27/h1-8H,9-16H2,(H-,24,29)/p+1