[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxy-phenyl)methanone Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22ClN3O2/c1-27-19-9-8-15(22)11-16(19)21(26)14-5-4-10-25(12-14)13-20-23-17-6-2-3-7-18(17)24-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,23,24)/p+1/t14-/m0/s1