[6-(4-heptoxyphenyl)pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-(4-heptoxyphenyl)pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-(4-heptoxyphenyl)-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-(4-heptoxyphenyl)-3-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-(4-heptoxyphenyl)pyridin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-(4-heptoxyphenyl)-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C25H26N4O3/c1-2-3-4-5-8-17-32-21-14-11-19(12-15-21)22-16-13-20(18-26-22)25(30)28-23-9-6-7-10-24(23)29(31)27-28/h6-7,9-16,18H,2-5,8,17H2,1H3