N-(5-chloranyl-2-methoxy-phenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-9-8-17(22)13-19(20)24-21(26)10-7-16-5-4-12-25(14-16)15-18-6-2-3-11-23-18/h2-3,6,8-9,11,13,16H,4-5,7,10,12,14-15H2,1H3,(H,24,26)/p+1/t16-/m1/s1