2-[(5S)-4-azanyl-5-(2-chlorophenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(5S)-4-azanyl-5-(2-chlorophenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(5S)-4-amino-5-(2-chlorophenyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(5S)-4-amino-5-(2-chlorophenyl)-8-hydroxy-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(5S)-4-amino-5-(2-chlorophenyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-amino-5-(2-chlorophenyl)-8-hydroxy-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C23H27ClN4O2+2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=CC=C4Cl)C=CC(=C3)O)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)OC3=C([C@@H]2C4=CC=CC=C4Cl)C=CC(=C3)O)N

InChI

InChI=1S/C23H25ClN4O2/c1-3-27(4-2)11-12-28-14-26-23-21(22(28)25)20(16-7-5-6-8-18(16)24)17-10-9-15(29)13-19(17)30-23/h5-10,13-14,20,25,29H,3-4,11-12H2,1-2H3/p+2/t20-/m0/s1