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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propionamide Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-12-5-6-15(21-4)14(11-12)17-16(20)13(2)19-9-7-18(3)8-10-19/h5-6,11,13H,7-10H2,1-4H3,(H,17,20)/p+2/t13-/m0/s1