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

Systemtic Name: 6-azanyl-5-[2-(azocan-1-ium-1-yl)ethanoyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1-azocan-1-iumyl)-1-oxoethyl]-3-methyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(azocan-1-ium-1-yl)acetyl]-1-benzyl-3-methyl-pyrimidine-2,4-quinone Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-23-20(27)18(17(26)15-24-12-8-3-2-4-9-13-24)19(22)25(21(23)28)14-16-10-6-5-7-11-16/h5-7,10-11H,2-4,8-9,12-15,22H2,1H3/p+1