(2,5-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (2,5-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethoxyphenyl)methanethione CAS Name: (2,5-dimethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethoxyphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethoxyphenyl)methanethione Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-23-17-8-9-19(24-2)18(14-17)20(25)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1