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

Systemtic Name: ethyl (3S)-1-[1-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C27H37N3O4+2 MolecularWeight: 467.60038

Click to see the large picture

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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-4-12-30-25-17-24(33-3)9-8-20(25)16-22(26(30)31)18-28-14-10-23(11-15-28)29-13-6-7-21(19-29)27(32)34-5-2/h1,8-9,16-17,21,23H,5-7,10-15,18-19H2,2-3H3/p+2/t21-/m0/s1