(5S)-4-azanyl-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one

Systemtic Name: (5S)-4-azanyl-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5S)-4-amino-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5S)-4-amino-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-6-one IUPAC Name: (5S)-4-amino-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5S)-4-amino-3-(2-hydroxyethyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)N=C[N+](=C3N)CCO)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C3=C(O2)N=C[N+](=C3N)CCO)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C21H23N3O3/c1-21(2)10-14(26)17-15(11-21)27-20-18(16(17)13-6-4-3-5-7-13)19(22)24(8-9-25)12-23-20/h3-7,12,16,22,25H,8-11H2,1-2H3/p+1/t16-/m1/s1