(2S)-N-(5-azanyl-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-(1-azepan-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-(azepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C16H25N3O/c1-12-7-8-14(17)11-15(12)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10,17H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1