[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-bis(2-thienylmethyl)ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(veratrylamino)ethyl]-bis(2-thenyl)ammonium Formula: C21H25N2O3S2+ MolecularWeight: 417.5648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+](CC2=CC=CS2)CC3=CC=CS3)OC

InChI

InChI=1S/C21H24N2O3S2/c1-25-19-8-7-16(11-20(19)26-2)12-22-21(24)15-23(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3,(H,22,24)/p+1