ethyl 4-[9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate CAS Name: 4-[9-methoxy-7-(8-methoxy-4-methyl-2-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylate Traditional Name: 4-[9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C29H36N3O5+ MolecularWeight: 506.61324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=C(C=CC=C5OC)C(=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=C(C=CC=C5OC)C(=C4)C

InChI

InChI=1S/C29H35N3O5/c1-5-36-29(33)31-11-9-22(10-12-31)32-13-14-37-28-21(18-32)16-20(17-26(28)35-4)24-15-19(2)23-7-6-8-25(34-3)27(23)30-24/h6-8,15-17,22H,5,9-14,18H2,1-4H3/p+1