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

Systemtic Name: 1-pyridin-3-ylsulfonyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(3-pyridylsulfonyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(3-pyridinylsulfonyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-pyridin-3-ylsulfonyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-pyridylsulfonyl)-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]isonipecotamide Formula: C22H32N7O3S+ MolecularWeight: 474.59958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H31N7O3S/c30-21(19-5-12-29(13-6-19)33(31,32)20-4-1-7-23-18-20)24-10-3-11-27-14-16-28(17-15-27)22-25-8-2-9-26-22/h1-2,4,7-9,18-19H,3,5-6,10-17H2,(H,24,30)/p+1