1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-[(4-benzyl-1-piperidyl)sulfonyl]pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-(4-benzylpiperidino)sulfonylpyridin-1-ium-2-yl]isonipecotamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4CCC(CC4)C(=O)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)/p+1