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

Systemtic Name: (5S)-4-azanyl-3-(2-dimethylaminoethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Openeye Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol CAS Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-8-ol IUPAC Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Traditional Name: (5S)-4-amino-3-(2-dimethylaminoethyl)-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-8-ol Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCN(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CCN(C)C)N

InChI

InChI=1S/C22H24N4O2/c1-14-4-6-15(7-5-14)19-17-9-8-16(27)12-18(17)28-22-20(19)21(23)26(13-24-22)11-10-25(2)3/h4-9,12-13,19,23,27H,10-11H2,1-3H3/p+1/t19-/m0/s1