ethyl 4-[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(6-ethoxy-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(6-ethoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C24H34N4O3/c1-3-30-22-9-10-23-19(16-22)7-8-20(25-23)17-26-11-5-6-21(18-26)27-12-14-28(15-13-27)24(29)31-4-2/h7-10,16,21H,3-6,11-15,17-18H2,1-2H3/p+1/t21-/m0/s1