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

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[1-oxo-3-(1-pyrazolyl)propyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]ethyl]ammonium Formula: C24H39N5O2+2 MolecularWeight: 429.59876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C24H37N5O2/c1-26(2)16-17-28(24(30)11-15-29-14-7-12-25-29)19-21-8-6-13-27(18-21)20-22-9-4-5-10-23(22)31-3/h4-5,7,9-10,12,14,21H,6,8,11,13,15-20H2,1-3H3/p+2/t21-/m0/s1