4-(3-chlorophenyl)sulfanyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(3-chlorophenyl)sulfanyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(3-chlorophenyl)sulfanyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-[(3-chlorophenyl)thio]-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(3-chlorophenyl)sulfanyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-[(3-chlorophenyl)thio]-1-piperazin-4-ium-1-yl-butan-1-one Formula: C14H20ClN2OS+ MolecularWeight: 299.8394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCSC2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCSC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H19ClN2OS/c15-12-3-1-4-13(11-12)19-10-2-5-14(18)17-8-6-16-7-9-17/h1,3-4,11,16H,2,5-10H2/p+1