2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-propan-2-ylpyrazol-4-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-propan-2-ylpyrazol-4-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(1-isopropylpyrazole-4-carbonyl)-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(1-propan-2-ylpyrazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1-isopropylpyrazole-4-carbonyl)-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C25H41N5O2+2 MolecularWeight: 443.62534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N(CC[NH+](C)C)CC2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C25H39N5O2/c1-20(2)30-19-23(15-26-30)25(31)29(14-13-27(3)4)17-21-9-8-12-28(16-21)18-22-10-6-7-11-24(22)32-5/h6-7,10-11,15,19-21H,8-9,12-14,16-18H2,1-5H3/p+2/t21-/m0/s1