(5R)-4-azanyl-3-(3-imidazol-1-ylpropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one

Systemtic Name: (5R)-4-azanyl-3-(3-imidazol-1-ylpropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5R)-4-amino-3-(3-imidazol-1-ylpropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5R)-4-amino-3-[3-(1-imidazolyl)propyl]-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-6-one IUPAC Name: (5R)-4-amino-3-(3-imidazol-1-ylpropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5R)-4-amino-3-(3-imidazol-1-ylpropyl)-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)N=C[N+](=C3N)CCCN4C=CN=C4)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C3=C(O2)N=C[N+](=C3N)CCCN4C=CN=C4)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C25H27N5O2/c1-25(2)13-18(31)21-19(14-25)32-24-22(20(21)17-7-4-3-5-8-17)23(26)30(16-28-24)11-6-10-29-12-9-27-15-29/h3-5,7-9,12,15-16,20,26H,6,10-11,13-14H2,1-2H3/p+1/t20-/m0/s1