1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[4-(methylthio)benzyl]piperazin-1-ium Formula: C19H31N2S+ MolecularWeight: 319.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H30N2S/c1-16-4-3-5-18(14-16)21-12-10-20(11-13-21)15-17-6-8-19(22-2)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3/p+1/t16-,18-/m0/s1