methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C24H35N5O3+2 MolecularWeight: 441.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C([NH+]=C2N3CCCN(CC3)C(=O)C)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C([NH+]=C2N3CCCN(CC3)C(=O)C)C[NH+]4CCCC[C@@H]4C(=O)OC

InChI

InChI=1S/C24H33N5O3/c1-17-8-6-9-19-22(17)25-21(16-29-11-5-4-10-20(29)24(31)32-3)26-23(19)28-13-7-12-27(14-15-28)18(2)30/h6,8-9,20H,4-5,7,10-16H2,1-3H3/p+2/t20-/m1/s1