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

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C19H24ClN3O/c1-15-13-17(20)6-7-18(15)19(24)16-5-2-9-22(14-16)10-4-12-23-11-3-8-21-23/h3,6-8,11,13,16H,2,4-5,9-10,12,14H2,1H3/p+1/t16-/m0/s1