1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-(3-thienyl)ethanone Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=CC=CC=C2[N+](C1(CN)OC3=CC=CC=C3OC)(C)C(=O)CC4=CSC=C4

Isomeric SMILES

CCC1CC2=CC=CC=C2[N+](C1(CN)OC3=CC=CC=C3OC)(C)C(=O)CC4=CSC=C4

InChI

InChI=1S/C26H31N2O3S/c1-4-21-16-20-9-5-6-10-22(20)28(2,25(29)15-19-13-14-32-17-19)26(21,18-27)31-24-12-8-7-11-23(24)30-3/h5-14,17,21H,4,15-16,18,27H2,1-3H3/q+1