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

Systemtic Name: (5S)-4-azanyl-3-butyl-5-(3,4-dimethoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-6-one IUPAC Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5S)-4-amino-3-butyl-5-(3,4-dimethoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)OC3=C([C@H]2C4=CC(=C(C=C4)OC)OC)C(=O)CC(C3)(C)C)N

InChI

InChI=1S/C25H31N3O4/c1-6-7-10-28-14-27-24-22(23(28)26)20(15-8-9-17(30-4)18(11-15)31-5)21-16(29)12-25(2,3)13-19(21)32-24/h8-9,11,14,20,26H,6-7,10,12-13H2,1-5H3/p+1/t20-/m1/s1