3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2/c1-30-21-10-9-17(13-18(21)24)25-23(29)11-8-16-5-4-12-28(14-16)15-22-26-19-6-2-3-7-20(19)27-22/h2-3,6-7,9-10,13,16H,4-5,8,11-12,14-15H2,1H3,(H,25,29)(H,26,27)/p+1/t16-/m1/s1