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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-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-(3-methylphenyl)propanamide Traditional Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-N-(m-tolyl)propionamide Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-21-6-5-9-24(18-21)27-26(30)11-10-23-20-28(19-22-7-3-2-4-8-22)13-12-25(23)29-14-16-31-17-15-29/h2-9,18,23,25H,10-17,19-20H2,1H3,(H,27,30)/p+2/t23-,25+/m0/s1