N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C16H26N2O3S/c1-21-15-7-9-16(10-8-15)22(19,20)17-11-6-14-18-12-4-2-3-5-13-18/h7-10,17H,2-6,11-14H2,1H3/p+1