ethyl (2R)-1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-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)-8-methylquinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C25H37N5O3+2 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O3/c1-4-33-25(32)21-11-5-6-12-30(21)17-22-26-23-18(2)9-7-10-20(23)24(27-22)29-14-8-13-28(15-16-29)19(3)31/h7,9-10,21H,4-6,8,11-17H2,1-3H3/p+2/t21-/m1/s1