(2-azanyl-2-oxidanylidene-ethyl)-[(1,3-diphenylpyrazol-4-yl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(1,3-diphenylpyrazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1,3-diphenylpyrazol-4-yl)methyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(1,3-diphenyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(1,3-diphenylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[(1,3-diphenylpyrazol-4-yl)methyl]-isopropyl-ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C21H24N4O/c1-16(2)24(15-20(22)26)13-18-14-25(19-11-7-4-8-12-19)23-21(18)17-9-5-3-6-10-17/h3-12,14,16H,13,15H2,1-2H3,(H2,22,26)/p+1