[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(4-chlorophenyl)thio]methyl]phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(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(=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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