N-(2-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(2-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(2-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(2-methoxyphenyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H34N4O3/c1-31-24-5-3-2-4-22(24)27-25(30)7-6-21-19-28(18-20-8-11-26-12-9-20)13-10-23(21)29-14-16-32-17-15-29/h2-5,8-9,11-12,21,23H,6-7,10,13-19H2,1H3,(H,27,30)/p+2/t21-,23+/m0/s1