2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-4-quinolinyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H35N3O3/c1-6-10-22-20(7-2)27(21-11-8-9-12-23(21)28-22)29-26(31)18-30(3)16-15-19-13-14-24(32-4)25(17-19)33-5/h8-9,11-14,17H,6-7,10,15-16,18H2,1-5H3,(H,28,29,31)/p+1