(2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-butanamide CAS Name: (2S)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylbutanamide Traditional Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-butyramide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O/c1-3-20(17-7-5-4-6-8-17)21(25)22-18-9-11-19(12-10-18)24-15-13-23(2)14-16-24/h4-12,20H,3,13-16H2,1-2H3,(H,22,25)/p+1/t20-/m0/s1