(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-12-5-6-16(23-4)15(11-12)18-17(22)13(2)19-7-9-20(10-8-19)14(3)21/h5-6,11,13H,7-10H2,1-4H3,(H,18,22)/p+1/t13-/m0/s1