4-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-[(4-chlorophenyl)thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butan-1-one Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3OS/c21-18-3-5-19(6-4-18)26-15-1-2-20(25)24-13-11-23(12-14-24)16-17-7-9-22-10-8-17/h3-10H,1-2,11-16H2/p+1