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

Systemtic Name: (5R)-4-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Openeye Name: (5R)-4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one CAS Name: (5R)-4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-6-one IUPAC Name: (5R)-4-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Traditional Name: (5R)-4-amino-3-homoveratryl-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-3-ium-6-one Formula: C30H34N3O5+ MolecularWeight: 516.60806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)N=C[N+](=C3N)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C3=C(O2)N=C[N+](=C3N)CCC4=CC(=C(C=C4)OC)OC)C5=CC=C(C=C5)OC)C(=O)C1)C

InChI

InChI=1S/C30H33N3O5/c1-30(2)15-21(34)26-24(16-30)38-29-27(25(26)19-7-9-20(35-3)10-8-19)28(31)33(17-32-29)13-12-18-6-11-22(36-4)23(14-18)37-5/h6-11,14,17,25,31H,12-13,15-16H2,1-5H3/p+1/t25-/m0/s1