N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H34N4O3S/c1-20-8-13-28(14-9-20)19-22-6-4-21(5-7-22)17-27-25(30)23-10-15-29(16-11-23)33(31,32)24-3-2-12-26-18-24/h2-7,12,18,20,23H,8-11,13-17,19H2,1H3,(H,27,30)/p+1