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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-(veratrylamino)ethyl]-methyl-(3-thenyl)ammonium Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H22N2O3S/c1-19(10-14-6-7-23-12-14)11-17(20)18-9-13-4-5-15(21-2)16(8-13)22-3/h4-8,12H,9-11H2,1-3H3,(H,18,20)/p+1