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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-ethoxy-3-methoxy-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-ethoxy-3-methoxyphenyl)-(4-ethyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-ethoxy-3-methoxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-ethoxy-3-methoxy-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Formula: C16H25N2O2S+ MolecularWeight: 309.4469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-4-17-8-10-18(11-9-17)16(21)13-6-7-14(20-5-2)15(12-13)19-3/h6-7,12H,4-5,8-11H2,1-3H3/p+1