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ethyl 4-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

ethyl 4-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name:ethyl 4-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate
Openeye Name:ethyl 4-[(3S)-1-[(8-methoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate
CAS Name:4-[(3S)-1-[(8-methoxy-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate
Traditional Name:4-[(3S)-1-[(8-methoxy-2-quinolyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester
Formula: C23H33N4O3+
MolecularWeight: 413.53312
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=NC4=C(C=CC=C4OC)C=C3


Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=CC=C4OC)C=C3


InChI

InChI=1S/C23H32N4O3/c1-3-30-23(28)27-14-12-26(13-15-27)20-7-5-11-25(17-20)16-19-10-9-18-6-4-8-21(29-2)22(18)24-19/h4,6,8-10,20H,3,5,7,11-17H2,1-2H3/p+1/t20-/m0/s1


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