(4-methoxycarbonylphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-15(22-13-17-9-11-18(12-10-17)21(25)26-3)20-14-23-24(16(20)2)19-7-5-4-6-8-19/h4-12,14-15,22H,13H2,1-3H3/p+1/t15-/m1/s1