6-azanyl-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C20H25N4O4+ MolecularWeight: 385.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C20H24N4O4/c1-28-14-8-4-12(5-9-14)15-3-2-10-23(15)11-16(25)17-18(21)24(13-6-7-13)20(27)22-19(17)26/h4-5,8-9,13,15H,2-3,6-7,10-11,21H2,1H3,(H,22,26,27)/p+1/t15-/m1/s1