[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [2-keto-2-(veratrylamino)ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H30N2O3S/c1-19-9-11-22(31-19)17-27(14-13-20-7-5-4-6-8-20)18-25(28)26-16-21-10-12-23(29-2)24(15-21)30-3/h4-12,15H,13-14,16-18H2,1-3H3,(H,26,28)/p+1