5-chloranyl-2-methoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]benzamide Formula: C20H26ClN4O4S+ MolecularWeight: 453.96284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25ClN4O4S/c1-29-18-7-6-16(21)15-17(18)20(26)23-9-4-14-30(27,28)25-12-10-24(11-13-25)19-5-2-3-8-22-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,23,26)/p+1