6-azanyl-1,3-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1,3-dimethyl-5-[(2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanoyl]pyrimidine-2,4-quinone Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C20H27N5O3/c1-13-7-5-6-8-15(13)25-11-9-24(10-12-25)14(2)17(26)16-18(21)22(3)20(28)23(4)19(16)27/h5-8,14H,9-12,21H2,1-4H3/p+1/t14-/m0/s1