5-(3,4-dimethoxyphenyl)-7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-(4-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=[NH+]C=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=[NH+]C=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H22N4O2/c1-4-15-5-7-19-18(13-15)22(17-6-8-20(28-2)21(14-17)29-3)26-27-23(25-19)16-9-11-24-12-10-16/h5-14,26H,4H2,1-3H3/p+1