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

Systemtic Name: 6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]-3-methylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]-3-methyl-pyrimidine-2,4-quinone Formula: C26H31N4O3+ MolecularWeight: 447.54934

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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+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-28-25(32)23(24(27)30(26(28)33)17-21-10-6-3-7-11-21)22(31)18-29-14-12-20(13-15-29)16-19-8-4-2-5-9-19/h2-11,20H,12-18,27H2,1H3/p+1