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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[(1R)-2-keto-1-methyl-2-(methylamino)ethyl]-methyl-ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-16(21(26)22-2)24(3)14-18-15-25(19-12-8-5-9-13-19)23-20(18)17-10-6-4-7-11-17/h4-13,15-16H,14H2,1-3H3,(H,22,26)/p+1/t16-/m1/s1