ethyl-[(3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: ethyl-[(3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[(3-methoxycarbonyl-4-phenyl-2-quinolyl)methyl]ammonium CAS Name: ethyl-[(3-methoxycarbonyl-4-phenyl-2-quinolinyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: ethyl-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (3-carbomethoxy-4-phenyl-2-quinolyl)methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C3=CC=CC=C3)CC(=O)NC(C)C

InChI

InChI=1S/C25H29N3O3/c1-5-28(16-22(29)26-17(2)3)15-21-24(25(30)31-4)23(18-11-7-6-8-12-18)19-13-9-10-14-20(19)27-21/h6-14,17H,5,15-16H2,1-4H3,(H,26,29)/p+1