2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-oxidanylidene-2-phenyl-ethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-oxidanylidene-2-phenyl-ethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-oxo-2-phenyl-acetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(1,2-dioxo-2-phenylethyl)-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-oxo-2-phenylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-2-phenyl-acetyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C26H37N3O3+2 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3/c1-27(2)16-17-29(26(31)25(30)22-11-5-4-6-12-22)19-21-10-9-15-28(18-21)20-23-13-7-8-14-24(23)32-3/h4-8,11-14,21H,9-10,15-20H2,1-3H3/p+2/t21-/m0/s1