cyclohexyl-[(2R)-3-[3-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[3-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-3-[3-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-3-[3-[[(1-ethyl-4-pyrazolyl)methylammonio]methyl]phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-3-[3-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-3-[3-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=CC(=CC=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C23H36N4O2/c1-3-27-16-20(15-25-27)14-24-13-19-8-7-11-23(12-19)29-18-22(28)17-26(2)21-9-5-4-6-10-21/h7-8,11-12,15-16,21-22,24,28H,3-6,9-10,13-14,17-18H2,1-2H3/p+2/t22-/m1/s1