1-methyl-4-[4-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methyl]-1-piperidinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(propan-2-ylamino)pyridin-1-ium-1-carbonyl]piperidin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H27N5O4S/c1-14(2)22-18-6-4-5-9-25(18)20(27)15-7-10-24(11-8-15)30(28,29)16-12-17(19(21)26)23(3)13-16/h4-6,9,12-15H,7-8,10-11H2,1-3H3,(H2,21,26)/p+1