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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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