methyl 1-[[4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[[4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Openeye Name: methyl 1-[[4-(1-oxidopyridin-1-ium-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate CAS Name: 1-[[4-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(1-oxidopyridin-1-ium-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Traditional Name: 1-[[4-(1-oxidopyridin-1-ium-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pipecolinic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

COC(=O)C1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C23H27N3O5/c1-30-23(28)20-4-2-3-9-24(20)15-17-5-6-21-19(14-17)16-25(12-13-31-21)22(27)18-7-10-26(29)11-8-18/h5-8,10-11,14,20H,2-4,9,12-13,15-16H2,1H3