dibutyl-[[3-[(E)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]azanium

Systemtic Name: dibutyl-[[3-[(E)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]azanium Openeye Name: dibutyl-[[3-[(E)-(3-methylene-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]ammonium CAS Name: dibutyl-[[3-[(E)-(3-methylene-5-oxo-1-phenyl-4-pyrazolidinylidene)methyl]-1-indolyl]methyl]ammonium IUPAC Name: dibutyl-[[3-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]azanium Traditional Name: dibutyl-[[3-[(E)-(5-keto-3-methylene-1-phenyl-pyrazolidin-4-ylidene)methyl]indol-1-yl]methyl]ammonium Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CN1C=C(C2=CC=CC=C21)C=C3C(=C)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCC[NH+](CCCC)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=C)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-4-6-17-30(18-7-5-2)21-31-20-23(25-15-11-12-16-27(25)31)19-26-22(3)29-32(28(26)33)24-13-9-8-10-14-24/h8-16,19-20,29H,3-7,17-18,21H2,1-2H3/p+1/b26-19+