(3,4-dimethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: methyl-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]-veratryl-ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CN2C3=CC=CC=C3OC2=S

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C18H20N2O3S/c1-19(11-13-8-9-16(21-2)17(10-13)22-3)12-20-14-6-4-5-7-15(14)23-18(20)24/h4-10H,11-12H2,1-3H3/p+1