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

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H23ClN3O2+ MolecularWeight: 312.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22ClN3O2/c1-10-8-13(14(21-3)9-12(10)16)18-15(20)11(2)19-6-4-17-5-7-19/h8-9,11,17H,4-7H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1