[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[[(4-chlorophenyl)thio]methyl]phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[[(4-chlorophenyl)thio]methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H23ClN3OS+ MolecularWeight: 424.96622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3OS/c24-20-8-10-21(11-9-20)29-17-18-4-6-19(7-5-18)23(28)27-15-13-26(14-16-27)22-3-1-2-12-25-22/h1-12H,13-17H2/p+1