4-phenylsulfanyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-phenylsulfanyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-phenylsulfanyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(phenylthio)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-phenylsulfanyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(phenylthio)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c17-14(16-10-8-15-9-11-16)7-4-12-18-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2/p+1