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

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(2-methylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(2-methylpyrazole-3-carbonyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl]ammonium Formula: C23H37N5O2+2 MolecularWeight: 415.57218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C23H35N5O2/c1-25(2)14-15-28(23(29)21-11-12-24-26(21)3)17-19-8-7-13-27(16-19)18-20-9-5-6-10-22(20)30-4/h5-6,9-12,19H,7-8,13-18H2,1-4H3/p+2/t19-/m0/s1