(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1R)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-4-8-18(17-9-6-5-7-10-17)20-19(24)15(2)21-11-13-22(14-12-21)16(3)23/h5-7,9-10,15,18H,4,8,11-14H2,1-3H3,(H,20,24)/p+1/t15-,18+/m0/s1