(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H24ClN2O2+ MolecularWeight: 395.90186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23ClN2O2/c1-28-22-11-9-18(24)13-20(22)23(27)17-6-4-12-26(14-17)15-19-10-8-16-5-2-3-7-21(16)25-19/h2-3,5,7-11,13,17H,4,6,12,14-15H2,1H3/p+1/t17-/m0/s1