N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-3-piperidinosulfonyl-benzamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O3S/c1-21-7-5-9-23(19-21)28-17-15-27(16-18-28)14-11-26-25(30)22-8-6-10-24(20-22)33(31,32)29-12-3-2-4-13-29/h5-10,19-20H,2-4,11-18H2,1H3,(H,26,30)/p+1