2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(6-methylpyridin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(6-methylpyridin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(6-methylpyridine-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(6-methyl-2-pyridinyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(6-methylpyridine-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(6-methylpicolinoyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl]ammonium Formula: C25H38N4O2+2 MolecularWeight: 426.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C25H36N4O2/c1-20-9-7-12-23(26-20)25(30)29(16-15-27(2)3)18-21-10-8-14-28(17-21)19-22-11-5-6-13-24(22)31-4/h5-7,9,11-13,21H,8,10,14-19H2,1-4H3/p+2/t21-/m0/s1