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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-propan-2-yl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-isopropyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-propan-2-yl-2-(4-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-propan-2-yl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-isopropyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2/c1-15(2)17-5-7-20-19(13-17)23(18-6-8-21(29-3)22(14-18)30-4)27-28-24(26-20)16-9-11-25-12-10-16/h5-15,27H,1-4H3/p+1