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

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-25(15-20(28)23-12-19(22)27)13-17-14-26(18-10-6-3-7-11-18)24-21(17)16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H2,22,27)(H,23,28)/p+1