(2-methoxy-4-methylsulfanyl-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)21(24)19-8-7-18(26-3)14-20(19)25-2/h4-8,13-14H,9-12,15H2,1-3H3/p+1