N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-31-23-13-22(14-24(15-23)32-2)28-26(30)9-8-19-5-4-12-29(17-19)18-21-7-3-6-20-16-27-11-10-25(20)21/h3,6-7,10-11,13-16,19H,4-5,8-9,12,17-18H2,1-2H3,(H,28,30)/p+1/t19-/m1/s1