5-(4-ethoxyphenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 5-(4-ethoxyphenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 5-(4-ethoxyphenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 5-(4-ethoxyphenyl)-2-(4-pyridin-1-iumyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 5-(4-ethoxyphenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 5-p-phenetyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-1-ium Formula: C21H20N4O+2 MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=[NH+]C=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=[NH+]C=C4

InChI

InChI=1S/C21H18N4O/c1-2-26-17-9-7-15(8-10-17)20-18-5-3-4-6-19(18)23-21(25-24-20)16-11-13-22-14-12-16/h3-14,24H,2H2,1H3/p+2