3-[cyclohexylcarbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[cyclohexylcarbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[cyclohexylcarbamothioyl-[(4-ethoxy-3-methoxy-phenyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[cyclohexylcarbamothioyl-[(4-ethoxy-3-methoxyphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[cyclohexylthiocarbamoyl-(4-ethoxy-3-methoxy-benzyl)amino]propyl-dimethyl-ammonium Formula: C22H38N3O2S+ MolecularWeight: 408.62102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2CCCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2CCCCC2)OC

InChI

InChI=1S/C22H37N3O2S/c1-5-27-20-13-12-18(16-21(20)26-4)17-25(15-9-14-24(2)3)22(28)23-19-10-7-6-8-11-19/h12-13,16,19H,5-11,14-15,17H2,1-4H3,(H,23,28)/p+1