[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)C[NH2+]CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)C[NH2+]CC=C)OC

InChI

InChI=1S/C20H26N2O3S/c1-4-10-21-14-20(23)22(15-17-6-5-12-26-17)11-9-16-7-8-18(24-2)19(13-16)25-3/h4-8,12-13,21H,1,9-11,14-15H2,2-3H3/p+1