N-[3-(azepan-1-ium-1-yl)propyl]-4-methyl-benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methyl-benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methyl-benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-methylbenzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methylbenzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methyl-benzamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-15-7-9-16(10-8-15)17(20)18-11-6-14-19-12-4-2-3-5-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20)/p+1