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2-[cycloheptylcarbamothioyl-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethyl-azanium

2-[cycloheptylcarbamothioyl-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name:2-[cycloheptylcarbamothioyl-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethyl-azanium
Openeye Name:2-[cycloheptylcarbamothioyl-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethyl-ammonium
CAS Name:2-[[(cycloheptylamino)-sulfanylidenemethyl]-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethylammonium
IUPAC Name:2-[cycloheptylcarbamothioyl-[(2,3-dimethoxyphenyl)methyl]amino]ethyl-dimethylazanium
Traditional Name:2-[cycloheptylthiocarbamoyl(o-veratryl)amino]ethyl-dimethyl-ammonium
Formula: C21H36N3O2S+
MolecularWeight: 394.59444
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=C(C(=CC=C1)OC)OC)C(=S)NC2CCCCCC2


Isomeric SMILES

C[NH+](C)CCN(CC1=C(C(=CC=C1)OC)OC)C(=S)NC2CCCCCC2


InChI

InChI=1S/C21H35N3O2S/c1-23(2)14-15-24(21(27)22-18-11-7-5-6-8-12-18)16-17-10-9-13-19(25-3)20(17)26-4/h9-10,13,18H,5-8,11-12,14-16H2,1-4H3,(H,22,27)/p+1


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