(3,4-dimethoxyphenyl)methyl-[[(2-ethoxyphenyl)amino]-(phenylmethylsulfanyl)methylidene]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[[(2-ethoxyphenyl)amino]-(phenylmethylsulfanyl)methylidene]azanium Openeye Name: [benzylsulfanyl-(2-ethoxyanilino)methylene]-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2-ethoxyanilino)-(phenylmethylthio)methylidene]ammonium IUPAC Name: [benzylsulfanyl-(2-ethoxyanilino)methylidene]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [(benzylthio)-(o-phenetidino)methylene]-veratryl-ammonium Formula: C25H29N2O3S+ MolecularWeight: 437.57436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=[NH+]CC2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=[NH+]CC2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-4-30-22-13-9-8-12-21(22)27-25(31-18-19-10-6-5-7-11-19)26-17-20-14-15-23(28-2)24(16-20)29-3/h5-16H,4,17-18H2,1-3H3,(H,26,27)/p+1