N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-propanamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-propanamide Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-3-phenyl-propanamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenylpropanamide Traditional Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-3-phenyl-propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CCC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)CCC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H31N3O/c1-19-8-11-21(12-9-19)22(26-16-14-25(2)15-17-26)18-24-23(27)13-10-20-6-4-3-5-7-20/h3-9,11-12,22H,10,13-18H2,1-2H3,(H,24,27)/p+1/t22-/m0/s1