2-[(2,5-diphenylpyrazol-3-yl)carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,5-diphenylpyrazol-3-yl)carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-(2,5-diphenylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-(2,5-diphenylpyrazole-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-(2,5-diphenylpyrazole-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-29(2)18-19-30(21-22-12-6-3-7-13-22)27(32)26-20-25(23-14-8-4-9-15-23)28-31(26)24-16-10-5-11-17-24/h3-17,20H,18-19,21H2,1-2H3/p+1