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

Systemtic Name: 4-[4-(7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-(7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine CAS Name: 4-[4-[7-ethyl-2-(4-pyridin-1-iumyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-(7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-(7-ethyl-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C25H26N5O+ MolecularWeight: 412.50684

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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)N5CCOCC5

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=[NH+]C=C3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C25H25N5O/c1-2-18-3-8-23-22(17-18)24(28-29-25(27-23)20-9-11-26-12-10-20)19-4-6-21(7-5-19)30-13-15-31-16-14-30/h3-12,17,28H,2,13-16H2,1H3/p+1