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

Systemtic Name: [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[3-methoxy-4-(p-tolylmethoxy)phenyl]methanethione CAS Name: [3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]methanethione Formula: C27H31N2O2S+ MolecularWeight: 447.61224

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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)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O2S/c1-21-8-10-23(11-9-21)20-31-25-13-12-24(18-26(25)30-2)27(32)29-16-14-28(15-17-29)19-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3/p+1