4-[4-(7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine

Systemtic Name: 4-[4-(7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-(7-isopropyl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine CAS Name: 4-[4-[7-propan-2-yl-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-(7-propan-2-yl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-(7-isopropyl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C26H28N5O+ MolecularWeight: 426.53342

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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=C(C=C4)N5CCOCC5

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=C[NH+]=CC=C3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H27N5O/c1-18(2)20-7-10-24-23(16-20)25(29-30-26(28-24)21-4-3-11-27-17-21)19-5-8-22(9-6-19)31-12-14-32-15-13-31/h3-11,16-18,29H,12-15H2,1-2H3/p+1