(2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(p-tolyl)propanamide CAS Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(p-tolyl)propionamide Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-5-7-15(8-6-13)17-16(20)14(2)19-10-4-9-18(3)11-12-19/h5-8,14H,4,9-12H2,1-3H3,(H,17,20)/p+2/t14-/m0/s1