ethyl (3S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-[(5-methyl-2-furanyl)methylamino]-2-quinazolinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(O4)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(O4)C

InChI

InChI=1S/C23H28N4O3/c1-3-29-23(28)17-7-6-12-27(14-17)15-21-25-20-9-5-4-8-19(20)22(26-21)24-13-18-11-10-16(2)30-18/h4-5,8-11,17H,3,6-7,12-15H2,1-2H3,(H,24,25,26)/p+1/t17-/m0/s1