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

Systemtic Name: 6-azanyl-5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C19H25ClN5O3+ MolecularWeight: 406.8865

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C19H24ClN5O3/c1-2-6-25-17(21)16(18(27)22-19(25)28)15(26)12-23-7-9-24(10-8-23)14-5-3-4-13(20)11-14/h3-5,11H,2,6-10,12,21H2,1H3,(H,22,27,28)/p+1