(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H18N2OS/c1-14-7-9-15(10-8-14)13(17)11-3-5-12(16-2)6-4-11/h3-6H,7-10H2,1-2H3/p+1