(5S)-4-azanyl-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol

Systemtic Name: (5S)-4-azanyl-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CC[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/C22H24N4O3/c1-25(2)10-11-26-13-24-22-20(21(26)23)19(14-4-7-16(28-3)8-5-14)17-9-6-15(27)12-18(17)29-22/h4-9,12-13,19,23,27H,10-11H2,1-3H3/p+1/t19-/m0/s1