(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)propionamide Formula: C19H29ClN3O3+ MolecularWeight: 382.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C19H28ClN3O3/c1-12(2)19(25)23-8-6-22(7-9-23)14(4)18(24)21-16-10-13(3)15(20)11-17(16)26-5/h10-12,14H,6-9H2,1-5H3,(H,21,24)/p+1/t14-/m0/s1