N-[3-(azepan-1-ium-1-yl)propyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-mesyl-isonipecotamide Formula: C16H32N3O3S+ MolecularWeight: 346.50858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C16H31N3O3S/c1-23(21,22)19-13-7-15(8-14-19)16(20)17-9-6-12-18-10-4-2-3-5-11-18/h15H,2-14H2,1H3,(H,17,20)/p+1