[3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl-dipropyl-azanium

Systemtic Name: [3-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl-dipropyl-azanium Openeye Name: [3-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl-dipropyl-ammonium CAS Name: [3-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-indolyl]methyl-dipropylammonium IUPAC Name: [3-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]methyl-dipropylazanium Traditional Name: [3-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]indol-1-yl]methyl-dipropyl-ammonium Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-4-15-28(16-5-2)19-29-18-21(23-13-9-10-14-25(23)29)17-24-20(3)27-30(26(24)31)22-11-7-6-8-12-22/h6-14,17-18H,4-5,15-16,19H2,1-3H3/p+1/b24-17+