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

Systemtic Name: 3-[cyclohexylcarbamothioyl-[(3-methoxy-4-propoxy-phenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[cyclohexylcarbamothioyl-[(3-methoxy-4-propoxy-phenyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]-[(3-methoxy-4-propoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[cyclohexylcarbamothioyl-[(3-methoxy-4-propoxyphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[cyclohexylthiocarbamoyl-(3-methoxy-4-propoxy-benzyl)amino]propyl-dimethyl-ammonium Formula: C23H40N3O2S+ MolecularWeight: 422.6476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2CCCCC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN(CCC[NH+](C)C)C(=S)NC2CCCCC2)OC

InChI

InChI=1S/C23H39N3O2S/c1-5-16-28-21-13-12-19(17-22(21)27-4)18-26(15-9-14-25(2)3)23(29)24-20-10-7-6-8-11-20/h12-13,17,20H,5-11,14-16,18H2,1-4H3,(H,24,29)/p+1