[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=C(C=CS2)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=C(C=CS2)C#N)OC)OC

InChI

InChI=1S/C18H21N3O3S/c1-12-7-15(23-3)16(24-4)8-14(12)10-21(2)11-17(22)20-18-13(9-19)5-6-25-18/h5-8H,10-11H2,1-4H3,(H,20,22)/p+1