(3R)-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-3-phenyl-butanamide

Systemtic Name: (3R)-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-3-phenyl-butanamide Openeye Name: (3R)-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]-3-phenyl-butanamide CAS Name: (3R)-N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]-3-phenylbutanamide IUPAC Name: (3R)-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-3-phenylbutanamide Traditional Name: (3R)-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]-3-phenyl-butyramide Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O/c1-21-9-8-12-24(19-21)28-17-15-27(16-18-28)14-7-6-13-26-25(29)20-22(2)23-10-4-3-5-11-23/h3-5,8-12,19,22H,6-7,13-18,20H2,1-2H3,(H,26,29)/p+1/t22-/m1/s1