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

Systemtic Name: 6-azanyl-5-[2-[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C20H23ClN5O4+ MolecularWeight: 432.88072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)N

InChI

InChI=1S/C20H22ClN5O4/c21-13-3-1-2-12(10-13)19(29)25-8-6-24(7-9-25)11-15(27)16-17(22)26(14-4-5-14)20(30)23-18(16)28/h1-3,10,14H,4-9,11,22H2,(H,23,28,30)/p+1