ethyl (3S)-1-[1-[(7-methoxy-1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-[(7-methoxy-1-methyl-2-oxidanylidene-quinolin-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(7-methoxy-1-methyl-2-oxo-3-quinolyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[(7-methoxy-1-methyl-2-oxo-3-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(7-methoxy-1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[(2-keto-7-methoxy-1-methyl-3-quinolyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H37N3O4+2 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)C

InChI

InChI=1S/C25H35N3O4/c1-4-32-25(30)19-6-5-11-28(17-19)21-9-12-27(13-10-21)16-20-14-18-7-8-22(31-3)15-23(18)26(2)24(20)29/h7-8,14-15,19,21H,4-6,9-13,16-17H2,1-3H3/p+2/t19-/m0/s1