6-azanyl-5-[2-(azocan-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(azocan-1-ium-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1-azocan-1-iumyl)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C22H30N4O3/c1-2-25-21(28)19(18(27)16-24-13-9-4-3-5-10-14-24)20(23)26(22(25)29)15-17-11-7-6-8-12-17/h6-8,11-12H,2-5,9-10,13-16,23H2,1H3/p+1