6-azanyl-5-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]ethanoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]ethanoyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-quinone Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C22H27N5O4/c1-31-11-10-27-20(23)19(21(29)25-22(27)30)18(28)13-26-8-6-14(7-9-26)16-12-24-17-5-3-2-4-15(16)17/h2-5,12,14,24H,6-11,13,23H2,1H3,(H,25,29,30)/p+1