ethyl (2R)-1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)-2-quinazolin-3-iumyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C24H35N5O3+2 MolecularWeight: 441.5664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N4CCCN(CC4)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N4CCCN(CC4)C(=O)C

InChI

InChI=1S/C24H33N5O3/c1-3-32-24(31)21-11-6-7-12-29(21)17-22-25-20-10-5-4-9-19(20)23(26-22)28-14-8-13-27(15-16-28)18(2)30/h4-5,9-10,21H,3,6-8,11-17H2,1-2H3/p+2/t21-/m1/s1