(3-bromanyl-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (3-bromo-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (3-bromo-4-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (3-bromo-4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (3-bromo-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C13H18BrN2OS+ MolecularWeight: 330.26382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2OS/c1-15-5-7-16(8-6-15)13(18)10-3-4-12(17-2)11(14)9-10/h3-4,9H,5-8H2,1-2H3/p+1