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

Systemtic Name: methyl 1-[[4-(1-methylcyclopropyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(1-methylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[(1-methylcyclopropyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(1-methylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(1-methylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H30N2O4/c1-22(7-8-22)21(26)24-11-12-28-19-4-3-16(13-18(19)15-24)14-23-9-5-17(6-10-23)20(25)27-2/h3-4,13,17H,5-12,14-15H2,1-2H3/p+1