ethyl 4-oxidanylidene-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-2-30-25(29)23-21(24(28)20-10-6-7-11-22(20)26-23)17-27-14-12-19(13-15-27)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,26,28)/p+1