2-[3-[[(2,5-dimethylpyrazol-3-yl)carbonyl-(pyridin-2-ylmethyl)amino]methyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[[(2,5-dimethylpyrazol-3-yl)carbonyl-(pyridin-2-ylmethyl)amino]methyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-[[(2,5-dimethylpyrazole-3-carbonyl)-(2-pyridylmethyl)amino]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-[[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(2-pyridinylmethyl)amino]methyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[[(2,5-dimethylpyrazole-3-carbonyl)-(pyridin-2-ylmethyl)amino]methyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[3-[[(2,5-dimethylpyrazole-3-carbonyl)-(2-pyridylmethyl)amino]methyl]phenoxy]ethyl-dimethyl-ammonium Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2=CC(=CC=C2)OCC[NH+](C)C)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2=CC(=CC=C2)OCC[NH+](C)C)CC3=CC=CC=N3)C

InChI

InChI=1S/C23H29N5O2/c1-18-14-22(27(4)25-18)23(29)28(17-20-9-5-6-11-24-20)16-19-8-7-10-21(15-19)30-13-12-26(2)3/h5-11,14-15H,12-13,16-17H2,1-4H3/p+1