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

Systemtic Name: 6-azanyl-5-[2-[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C20H25ClN5O4+ MolecularWeight: 434.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O4/c1-2-6-26-17(22)16(18(28)23-20(26)30)15(27)12-24-7-9-25(10-8-24)19(29)13-4-3-5-14(21)11-13/h3-5,11H,2,6-10,12,22H2,1H3,(H,23,28,30)/p+1