[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [3-methoxy-4-(p-tolylmethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [3-methoxy-4-(4-methylbenzyl)oxy-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC

InChI

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