N-(5-azanyl-2-methyl-phenyl)-3-(azepan-1-ium-1-yl)propanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-(azepan-1-ium-1-yl)propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-(azepan-1-ium-1-yl)propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-(1-azepan-1-iumyl)propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-(azepan-1-ium-1-yl)propanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-(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)CC[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-6-7-14(17)12-15(13)18-16(20)8-11-19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)/p+1