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

Systemtic Name: (3-methoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methoxyphenyl)methanethione CAS Name: (3-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methoxyphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methoxyphenyl)methanethione Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS/c1-22-18-9-5-8-17(14-18)19(23)21-12-10-20(11-13-21)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3/p+1