[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-veratryl-ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H21N3O3S/c1-21(12-13-4-5-15(23-2)16(10-13)24-3)8-6-17(22)20-18-14(11-19)7-9-25-18/h4-5,7,9-10H,6,8,12H2,1-3H3,(H,20,22)/p+1