(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-22(2)21(25)20(17-7-5-4-6-8-17)24-15-13-23(14-16-24)18-9-11-19(26-3)12-10-18/h4-12,20H,13-16H2,1-3H3/p+1/t20-/m0/s1