1-(phenylsulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2-pyridin-1-iumylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(pyridin-1-ium-2-ylmethyl)isonipecotamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-18(20-14-16-6-4-5-11-19-16)15-9-12-21(13-10-15)25(23,24)17-7-2-1-3-8-17/h1-8,11,15H,9-10,12-14H2,(H,20,22)/p+1