ethyl 4-[9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate CAS Name: 4-[9-methoxy-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[9-methoxy-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Traditional Name: 4-[9-methoxy-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H32N3O5+ MolecularWeight: 442.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

InChI

InChI=1S/C24H31N3O5/c1-4-31-24(28)26-10-8-19(9-11-26)27-12-13-32-23-18(16-27)14-17(15-21(23)29-2)20-6-5-7-22(25-20)30-3/h5-7,14-15,19H,4,8-13,16H2,1-3H3/p+1