N'-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-piperidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-piperidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(1-piperidylsulfonyl)benzohydrazide CAS Name: N'-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-(1-piperidinylsulfonyl)benzohydrazide IUPAC Name: N'-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-piperidin-1-ylsulfonylbenzohydrazide Traditional Name: 3-piperidinosulfonyl-N'-(1-pyrrolin-1-ium-2-yl)benzohydrazide Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=[NH+]CCC3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC3=[NH+]CCC3

InChI

InChI=1S/C16H22N4O3S/c21-16(19-18-15-8-5-9-17-15)13-6-4-7-14(12-13)24(22,23)20-10-2-1-3-11-20/h4,6-7,12H,1-3,5,8-11H2,(H,17,18)(H,19,21)/p+1