(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-methylbenzyl)propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C17H25N3O2/c1-13-4-6-16(7-5-13)12-18-17(22)14(2)19-8-10-20(11-9-19)15(3)21/h4-7,14H,8-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1