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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylammonium IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylazanium Traditional Name: [2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-propyl-ammonium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2

Isomeric SMILES

CCC[NH2+]CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2

InChI

InChI=1S/C20H28N2O3S/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/h5-8,12-13,21H,4,9-11,14-15H2,1-3H3/p+1