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

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl-(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl]ammonium Formula: C24H36N4O3+2 MolecularWeight: 428.56764

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O3/c1-25(2)14-15-27(24(29)22-10-7-13-28(30)19-22)17-20-8-6-12-26(16-20)18-21-9-4-5-11-23(21)31-3/h4-5,7,9-11,13,19-20H,6,8,12,14-18H2,1-3H3/p+2/t20-/m0/s1