[4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]phenyl]methylazanium

Systemtic Name: [4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]phenyl]methylazanium Openeye Name: [4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamoyl]phenyl]methylammonium CAS Name: [4-[[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]phenyl]methylazanium Traditional Name: [4-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]carbamoyl]benzyl]ammonium Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C20H21BrN4O/c1-13-19(23-20(26)17-7-3-15(11-22)4-8-17)14(2)25(24-13)12-16-5-9-18(21)10-6-16/h3-10H,11-12,22H2,1-2H3,(H,23,26)/p+1