(2S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-2-phenyl-butanamide CAS Name: (2S)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-phenylbutanamide Traditional Name: (2S)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-2-phenyl-butyramide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C23H31N3O/c1-3-22(20-9-5-4-6-10-20)23(27)24-12-13-25-14-16-26(17-15-25)21-11-7-8-19(2)18-21/h4-11,18,22H,3,12-17H2,1-2H3,(H,24,27)/p+1/t22-/m0/s1