N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methylsulfanylphenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methylsulfanylphenyl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methylsulfanylphenyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-[4-(methylthio)phenyl]methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methylsulfanylphenyl)methanimine Traditional Name: (E)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-[4-(methylthio)benzylidene]amine Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H27N3S/c1-17-4-7-20(18(2)14-17)16-23-10-12-24(13-11-23)22-15-19-5-8-21(25-3)9-6-19/h4-9,14-15H,10-13,16H2,1-3H3/p+1/b22-15+