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

Systemtic Name: (4-acetamidophenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: (4-acetamidobenzyl)-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-15(23-13-18-5-7-19(8-6-18)25-17(3)27)22-14-24-26(16(22)2)20-9-11-21(28-4)12-10-20/h5-12,14-15,23H,13H2,1-4H3,(H,25,27)/p+1/t15-/m0/s1