9-methoxy-7-(4-methylphenyl)-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methylphenyl)-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(p-tolyl)-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methylphenyl)-4-(2-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methylphenyl)-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(p-tolyl)-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H24N2O2/c1-17-6-8-18(9-7-17)19-13-20-15-25(16-21-5-3-4-10-24-21)11-12-27-23(20)22(14-19)26-2/h3-10,13-14H,11-12,15-16H2,1-2H3/p+1