4-propan-2-yloxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-propan-2-yloxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-isopropoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-propan-2-yloxy-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-propan-2-yloxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-isopropoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]benzamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O4S/c1-18(2)30-20-9-7-19(8-10-20)22(27)24-12-5-17-31(28,29)26-15-13-25(14-16-26)21-6-3-4-11-23-21/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,24,27)/p+1