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

Systemtic Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(phenylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-N-(4-methoxyphenyl)propanamide CAS Name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(phenylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-N-(4-methoxyphenyl)propionamide Formula: C26H37N3O3+2 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3/c1-31-24-10-8-23(9-11-24)27-26(30)12-7-22-20-28(19-21-5-3-2-4-6-21)14-13-25(22)29-15-17-32-18-16-29/h2-6,8-11,22,25H,7,12-20H2,1H3,(H,27,30)/p+2/t22-,25+/m0/s1