(4-ethylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(2,4,5-trimethoxyphenyl)methanethione IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanethione Traditional Name: asaryl-(4-ethylpiperazin-4-ium-1-yl)methanethione Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C16H24N2O3S/c1-5-17-6-8-18(9-7-17)16(22)12-10-14(20-3)15(21-4)11-13(12)19-2/h10-11H,5-9H2,1-4H3/p+1