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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C19H25ClN3O2+ MolecularWeight: 362.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H24ClN3O2/c1-3-23-10-8-21-18(23)13-22-9-4-5-14(12-22)19(24)16-11-15(20)6-7-17(16)25-2/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3/p+1/t14-/m0/s1