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

Systemtic Name: 3-[(5S)-4-azanyl-5-(4-methylphenyl)-8-oxidanyl-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(5S)-4-amino-8-hydroxy-5-(4-methylphenyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-amino-8-hydroxy-5-(p-tolyl)-5H-chromeno[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C23H28N4O2+2 MolecularWeight: 392.49402

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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)CCC[NH+](C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-15-5-7-16(8-6-15)20-18-10-9-17(28)13-19(18)29-23-21(20)22(24)27(14-25-23)12-4-11-26(2)3/h5-10,13-14,20,24,28H,4,11-12H2,1-3H3/p+2/t20-/m0/s1