1-[2-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[2-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Openeye Name: 1-[2-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol CAS Name: 1-[2-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methylamino]ethyl]-4-piperidin-1-iumol IUPAC Name: 1-[2-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Traditional Name: 1-[2-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methylamino]ethyl]piperidin-1-ium-4-ol Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CNCC[NH+]4CCC(CC4)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CNCC[NH+]4CCC(CC4)O

InChI

InChI=1S/C24H30N4O2/c1-27-18-20(17-25-13-16-28-14-11-21(29)12-15-28)24(26-27)19-7-9-23(10-8-19)30-22-5-3-2-4-6-22/h2-10,18,21,25,29H,11-17H2,1H3/p+1