N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]cyclopropanecarboxamide

Systemtic Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]cyclopropanecarboxamide Openeye Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]cyclopropanecarboxamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]cyclopropanecarboxamide IUPAC Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]cyclopropanecarboxamide Traditional Name: N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]cyclopropanecarboxamide Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CC1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H24N4O3S/c21-16(14-5-6-14)18-8-3-13-24(22,23)20-11-9-19(10-12-20)15-4-1-2-7-17-15/h1-2,4,7,14H,3,5-6,8-13H2,(H,18,21)/p+1