N-butyl-N-[4-(1-butylpiperidin-1-ium-1-yl)carbonylphenyl]methanesulfonamide

Systemtic Name: N-butyl-N-[4-(1-butylpiperidin-1-ium-1-yl)carbonylphenyl]methanesulfonamide Openeye Name: N-butyl-N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-butyl-N-[4-[(1-butyl-1-piperidin-1-iumyl)-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-butyl-N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-butyl-N-[4-(1-butylpiperidin-1-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C21H35N2O3S+ MolecularWeight: 395.5792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)[N+]2(CCCCC2)CCCC)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)[N+]2(CCCCC2)CCCC)S(=O)(=O)C

InChI

InChI=1S/C21H35N2O3S/c1-4-6-15-22(27(3,25)26)20-13-11-19(12-14-20)21(24)23(16-7-5-2)17-9-8-10-18-23/h11-14H,4-10,15-18H2,1-3H3/q+1