5-phenyl-7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-phenyl-7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-phenyl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine CAS Name: 5-phenyl-7-propan-2-yl-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-phenyl-7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-phenyl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Formula: C22H21N4+ MolecularWeight: 341.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4/c1-15(2)17-10-11-20-19(13-17)21(16-7-4-3-5-8-16)25-26-22(24-20)18-9-6-12-23-14-18/h3-15,25H,1-2H3/p+1