(3-azanyl-3-sulfanylidene-propyl)-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-amino-3-thioxo-propyl)-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-methyl-veratryl-ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=S)N)CC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[NH+](CCC(=S)N)CC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H20N2O2S/c1-15(7-6-13(14)18)9-10-4-5-11(16-2)12(8-10)17-3/h4-5,8H,6-7,9H2,1-3H3,(H2,14,18)/p+1