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

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methyl-phenyl)methanone CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(4-chloro-2-methylphenyl)methanone IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methylphenyl)methanone Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methyl-phenyl)methanone Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22ClN3O/c1-14-11-16(22)8-9-17(14)21(26)15-5-4-10-25(12-15)13-20-23-18-6-2-3-7-19(18)24-20/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,24)/p+1/t15-/m0/s1