(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-13(2)17-8-6-7-14(3)18(17)20-19(24)15(4)21-9-11-22(12-10-21)16(5)23/h6-8,13,15H,9-12H2,1-5H3,(H,20,24)/p+1/t15-/m0/s1