N-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpyridin-1-ium-2-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-2-pyridin-1-iumyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyridin-1-ium-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyridin-1-ium-2-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=[N+]2CC3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=[N+]2CC3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-23(25-22-10-4-5-14-26(22)18-19-7-2-1-3-8-19)20-11-15-27(16-12-20)31(29,30)21-9-6-13-24-17-21/h1-10,13-14,17,20H,11-12,15-16,18H2/p+1