6-azanyl-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC[C@H]2C3=C(C=CC(=C3)OC)OC)N

InChI

InChI=1S/C22H30N4O5/c1-5-10-26-20(23)19(21(28)24(2)22(26)29)17(27)13-25-11-6-7-16(25)15-12-14(30-3)8-9-18(15)31-4/h8-9,12,16H,5-7,10-11,13,23H2,1-4H3/p+1/t16-/m0/s1