6-azanyl-1-propyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-propyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-propyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-1-propyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-propyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]pyrimidine-2,4-quinone Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC3=CC=CC=C3C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC3=CC=CC=C3C2)N

InChI

InChI=1S/C18H22N4O3/c1-2-8-22-16(19)15(17(24)20-18(22)25)14(23)11-21-9-7-12-5-3-4-6-13(12)10-21/h3-6H,2,7-11,19H2,1H3,(H,20,24,25)/p+1