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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C25H29ClN3O2+ MolecularWeight: 438.96966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28ClN3O2/c1-31-24-9-8-21(26)14-23(24)28-25(30)10-7-18-4-3-13-29(16-18)17-20-6-2-5-19-15-27-12-11-22(19)20/h2,5-6,8-9,11-12,14-15,18H,3-4,7,10,13,16-17H2,1H3,(H,28,30)/p+1/t18-/m1/s1