(2S)-N-[(1R)-1-phenylethyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[(1R)-1-phenylethyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-N-[(1R)-1-phenylethyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18(21-11-7-4-8-12-21)23-22(26)19(2)25-15-13-24(14-16-25)17-20-9-5-3-6-10-20/h3-12,18-19H,13-17H2,1-2H3,(H,23,26)/p+1/t18-,19+/m1/s1