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

Systemtic Name: methyl (2R)-1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C23H33N5O3+2 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCCC[C@@H]4C(=O)OC

InChI

InChI=1S/C23H31N5O3/c1-17(29)26-12-7-13-27(15-14-26)22-18-8-3-4-9-19(18)24-21(25-22)16-28-11-6-5-10-20(28)23(30)31-2/h3-4,8-9,20H,5-7,10-16H2,1-2H3/p+2/t20-/m1/s1