(4-methoxycarbonylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3/c1-15(23-13-17-5-7-18(8-6-17)22(26)28-4)21-14-24-25(16(21)2)19-9-11-20(27-3)12-10-19/h5-12,14-15,23H,13H2,1-4H3/p+1/t15-/m0/s1