4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-[4-(m-tolyl)piperazin-1-ium-1-yl]butanethioamide CAS Name: 4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butanethioamide Traditional Name: 4-[4-(m-tolyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCC(=S)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCC(=S)N

InChI

InChI=1S/C15H23N3S/c1-13-4-2-5-14(12-13)18-10-8-17(9-11-18)7-3-6-15(16)19/h2,4-5,12H,3,6-11H2,1H3,(H2,16,19)/p+1