2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethyl-pyrazol-1-yl]-3,5-dimethyl-phenyl]propan-2-olate

Systemtic Name: 2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethyl-pyrazol-1-yl]-3,5-dimethyl-phenyl]propan-2-olate Openeye Name: 2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethyl-pyrazol-1-yl]-3,5-dimethyl-phenyl]propan-2-olate CAS Name: 2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethyl-1-pyrazolyl]-3,5-dimethylphenyl]-2-propanolate IUPAC Name: 2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethylpyrazol-1-yl]-3,5-dimethylphenyl]propan-2-olate Traditional Name: 2-[4-[4-[[(3R)-3-(ethoxymethyl)-3,4-dihydroisoquinolin-2-ium-2-yl]methyl]-3,5-diethyl-pyrazol-1-yl]-3,5-dimethyl-phenyl]propan-2-olate Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=C(C=C(C=C2C)C(C)(C)[O-])C)CC)C[N+]3=CC4=CC=CC=C4CC3COCC

Isomeric SMILES

CCC1=C(C(=NN1C2=C(C=C(C=C2C)C(C)(C)[O-])C)CC)C[N+]3=CC4=CC=CC=C4C[C@@H]3COCC

InChI

InChI=1S/C31H41N3O2/c1-8-28-27(19-33-18-24-14-12-11-13-23(24)17-26(33)20-36-10-3)29(9-2)34(32-28)30-21(4)15-25(16-22(30)5)31(6,7)35/h11-16,18,26H,8-10,17,19-20H2,1-7H3/t26-/m1/s1