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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-ethoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-ethoxy-3-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-ethoxy-3-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-ethoxy-3-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C15H22N2O2S/c1-4-19-13-6-5-12(11-14(13)18-3)15(20)17-9-7-16(2)8-10-17/h5-6,11H,4,7-10H2,1-3H3/p+1