(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-18(22(26)23-13-12-19-8-10-21(27-2)11-9-19)24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1