4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(cyclohexylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4CCCCC4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4CCCCC4

InChI

InChI=1S/C23H30N2O3/c1-26-21-14-18(20-9-6-10-22(24-20)27-2)13-19-16-25(11-12-28-23(19)21)15-17-7-4-3-5-8-17/h6,9-10,13-14,17H,3-5,7-8,11-12,15-16H2,1-2H3/p+1