6-azanyl-5-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C20H29N5O3+2 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H27N5O3/c1-2-8-25-18(21)17(19(27)22-20(25)28)16(26)14-24-11-9-23(10-12-24)13-15-6-4-3-5-7-15/h3-7H,2,8-14,21H2,1H3,(H,22,27,28)/p+2