3-(4-chlorophenyl)sulfonyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfonyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-chlorophenyl)sulfonyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfonyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-chlorophenyl)sulfonyl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c19-15-4-6-16(7-5-15)26(24,25)14-8-18(23)22-12-10-21(11-13-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2/p+1