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

Systemtic Name: 6-azanyl-1-propyl-5-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-propyl-5-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-propyl-5-[(S)-1-pyrrolidin-1-iumyl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-propyl-5-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-propyl-5-[(S)-pyrrolidin-1-ium-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-quinone Formula: C21H31N4O5+ MolecularWeight: 419.49464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(C2=CC(=C(C(=C2)OC)OC)OC)[NH+]3CCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)[C@H](C2=CC(=C(C(=C2)OC)OC)OC)[NH+]3CCCC3)N

InChI

InChI=1S/C21H30N4O5/c1-5-8-25-19(22)16(20(26)23-21(25)27)17(24-9-6-7-10-24)13-11-14(28-2)18(30-4)15(12-13)29-3/h11-12,17H,5-10,22H2,1-4H3,(H,23,26,27)/p+1/t17-/m0/s1