4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H20N4O3S/c18-17(22)15-1-3-16(4-2-15)25(23,24)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14/h1-8H,9-13H2,(H2,18,22)/p+1