[[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-oxidanylidene-pyrazol-4-yl]-phenyl-amino]-diethyl-methyl-azanium

Systemtic Name: [[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-oxidanylidene-pyrazol-4-yl]-phenyl-amino]-diethyl-methyl-azanium Openeye Name: (N-[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-oxo-pyrazol-4-yl]anilino)-diethyl-methyl-ammonium CAS Name: (N-[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-oxo-4-pyrazolyl]anilino)-diethyl-methylammonium IUPAC Name: (N-[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-oxopyrazol-4-yl]anilino)-diethyl-methylazanium Traditional Name: (N-[4-acetamido-3-benzamido-1-(4-chlorophenyl)-5-keto-2-pyrazolin-4-yl]anilino)-diethyl-methyl-ammonium Formula: C29H32ClN6O3+ MolecularWeight: 548.05578

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC[N+](C)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C29H31ClN6O3/c1-5-36(4,6-2)35(25-15-11-8-12-16-25)29(32-21(3)37)27(31-26(38)22-13-9-7-10-14-22)33-34(28(29)39)24-19-17-23(30)18-20-24/h7-20H,5-6H2,1-4H3,(H-,31,32,33,37,38)/p+1