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

Systemtic Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[2-(aminomethyl)-3-ethyl-2-(2-methoxyphenoxy)-1-methyl-3,4-dihydroquinolin-1-ium-1-yl]-2-(2-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=CC=CS4

Isomeric SMILES

CCC1CC2=CC=CC=C2[N+](C1(CN)OC3=CC=CC=C3OC)(C)C(=O)CC4=CC=CS4

InChI

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