(4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NC=CN3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NC=CN3

InChI

InChI=1S/C17H20ClN3O/c1-12-9-14(18)4-5-15(12)17(22)13-3-2-8-21(10-13)11-16-19-6-7-20-16/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,19,20)/p+1/t13-/m0/s1