(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propionamide Formula: C16H26ClN3O2+2 MolecularWeight: 327.84954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O2/c1-11-9-14(15(22-4)10-13(11)17)18-16(21)12(2)20-7-5-19(3)6-8-20/h9-10,12H,5-8H2,1-4H3,(H,18,21)/p+2/t12-/m0/s1