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

Systemtic Name: N-(3-azanyl-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(3-amino-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(3-amino-2-methylphenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(3-amino-2-methylphenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-2-methyl-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C[NH+]2CCCCCC2)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C15H23N3O/c1-12-13(16)7-6-8-14(12)17-15(19)11-18-9-4-2-3-5-10-18/h6-8H,2-5,9-11,16H2,1H3,(H,17,19)/p+1