(2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propionamide Formula: C15H26N4O+2 MolecularWeight: 278.39314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)N)[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)N)[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C15H24N4O/c1-12(19-8-4-7-18(2)9-10-19)15(20)17-14-6-3-5-13(16)11-14/h3,5-6,11-12H,4,7-10,16H2,1-2H3,(H,17,20)/p+2/t12-/m0/s1