3-[(5S)-4-azanyl-5-(4-methoxyphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(5S)-4-azanyl-5-(4-methoxyphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C23H28N4O3+2 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=C(C2=C(N=C1)OC3=C(C2C4=CC=C(C=C4)OC)C=CC(=C3)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-26(2)11-4-12-27-14-25-23-21(22(27)24)20(15-5-8-17(29-3)9-6-15)18-10-7-16(28)13-19(18)30-23/h5-10,13-14,20,24,28H,4,11-12H2,1-3H3/p+2/t20-/m0/s1