N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H28N5O4S+ MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)CC(=O)N

InChI

InChI=1S/C18H27N5O4S/c19-17(24)13-22-8-5-15(6-9-22)21-18(25)14-3-10-23(11-4-14)28(26,27)16-2-1-7-20-12-16/h1-2,7,12,14-15H,3-6,8-11,13H2,(H2,19,24)(H,21,25)/p+1