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

Systemtic Name: ethyl 4-[(3S)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(6-chloro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H29ClN4O2/c1-2-29-22(28)27-12-10-26(11-13-27)20-4-3-9-25(16-20)15-19-7-5-17-14-18(23)6-8-21(17)24-19/h5-8,14,20H,2-4,9-13,15-16H2,1H3/p+1/t20-/m0/s1