methyl 1-[(4-naphthalen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-naphthalen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(naphthalene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[2-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(naphthalene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(2-naphthoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C28H31N2O4+ MolecularWeight: 459.55674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N2O4/c1-33-28(32)22-10-12-29(13-11-22)18-20-6-9-26-25(16-20)19-30(14-15-34-26)27(31)24-8-7-21-4-2-3-5-23(21)17-24/h2-9,16-17,22H,10-15,18-19H2,1H3/p+1