(4-dimethylaminophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (4-dimethylaminophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-dimethylaminophenyl)methanethione CAS Name: (4-dimethylaminophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-dimethylaminophenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-dimethylaminophenyl)methanethione Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3/p+1