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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C19H24ClN3O2/c1-25-18-7-6-16(20)13-17(18)19(24)15-5-2-9-22(14-15)10-4-12-23-11-3-8-21-23/h3,6-8,11,13,15H,2,4-5,9-10,12,14H2,1H3/p+1/t15-/m0/s1