2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methoxypyridin-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methoxypyridin-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methoxypyridine-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(2-methoxy-3-pyridinyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methoxypyridine-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-methoxynicotinoyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C25H38N4O3+2 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-27(2)15-16-29(25(30)22-11-7-13-26-24(22)32-4)18-20-9-8-14-28(17-20)19-21-10-5-6-12-23(21)31-3/h5-7,10-13,20H,8-9,14-19H2,1-4H3/p+2/t20-/m0/s1