N-[2-(azepan-1-ium-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-mesyl-isonipecotamide Formula: C15H30N3O3S+ MolecularWeight: 332.482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3S/c1-22(20,21)18-11-6-14(7-12-18)15(19)16-8-13-17-9-4-2-3-5-10-17/h14H,2-13H2,1H3,(H,16,19)/p+1