N-(4-azanyl-2-methyl-phenyl)-4-(azepan-1-ium-1-yl)butanamide

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-4-(azepan-1-ium-1-yl)butanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-4-(azepan-1-ium-1-yl)butanamide CAS Name: N-(4-amino-2-methylphenyl)-4-(1-azepan-1-iumyl)butanamide IUPAC Name: N-(4-amino-2-methylphenyl)-4-(azepan-1-ium-1-yl)butanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-4-(azepan-1-ium-1-yl)butyramide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-13-15(18)8-9-16(14)19-17(21)7-6-12-20-10-4-2-3-5-11-20/h8-9,13H,2-7,10-12,18H2,1H3,(H,19,21)/p+1