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

Systemtic Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-morpholino-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-(4-morpholinyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-morpholino-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC2C[NH+](CCC2N3CCOCC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC[C@H]2C[NH+](CC[C@H]2N3CCOCC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H34N4O3/c1-31-23-5-3-22(4-6-23)27-25(30)7-2-21-19-28(18-20-8-11-26-12-9-20)13-10-24(21)29-14-16-32-17-15-29/h3-6,8-9,11-12,21,24H,2,7,10,13-19H2,1H3,(H,27,30)/p+1/t21-,24+/m0/s1