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

Systemtic Name: 4-[4-[2-(furan-2-yl)-7-methoxy-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(2-furyl)-7-methoxy-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(2-furanyl)-7-methoxy-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(furan-2-yl)-7-methoxy-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]morpholine Traditional Name: 4-[4-[2-(2-furyl)-7-methoxy-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]morpholine Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H22N4O3/c1-28-18-8-9-20-19(15-18)22(25-26-23(24-20)21-3-2-12-30-21)16-4-6-17(7-5-16)27-10-13-29-14-11-27/h2-9,12,15,25H,10-11,13-14H2,1H3/p+1