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

Systemtic Name: (4-methoxy-3-methyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methoxy-3-methyl-phenyl)methanethione CAS Name: (4-methoxy-3-methylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methoxy-3-methylphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methoxy-3-methyl-phenyl)methanethione Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H24N2OS/c1-16-14-18(8-9-19(16)23-2)20(24)22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3/p+1