3-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]butan-1-one Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2OS/c1-14(2)12-17(20)19-10-8-18(9-11-19)13-15-4-6-16(21-3)7-5-15/h4-7,14H,8-13H2,1-3H3/p+1