3,3-diphenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

Systemtic Name: 3,3-diphenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Openeye Name: 3,3-diphenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide CAS Name: 3,3-diphenyl-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]propanamide IUPAC Name: 3,3-diphenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide Traditional Name: 3,3-diphenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]propionamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c32-27(22-25(23-10-3-1-4-11-23)24-12-5-2-6-13-24)29-16-9-21-35(33,34)31-19-17-30(18-20-31)26-14-7-8-15-28-26/h1-8,10-15,25H,9,16-22H2,(H,29,32)/p+1