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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-4-23-22(27)17(2)25(3)15-19-16-26(20-13-9-6-10-14-20)24-21(19)18-11-7-5-8-12-18/h5-14,16-17H,4,15H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1