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

Systemtic Name: ethyl 4-[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate CAS Name: 4-[9-methoxy-7-(6-methoxy-3-pyridazinyl)-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-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Traditional Name: 4-[9-methoxy-7-(6-methoxypyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H31N4O5+ MolecularWeight: 443.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-4-31-23(28)26-9-7-18(8-10-26)27-11-12-32-22-17(15-27)13-16(14-20(22)29-2)19-5-6-21(30-3)25-24-19/h5-6,13-14,18H,4,7-12,15H2,1-3H3/p+1