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

Systemtic Name: 6-azanyl-3-methyl-5-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[2-[(2R)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC(=O)C2=C(N(C(=O)N(C2=O)C)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N4O3/c1-14-8-6-7-11-23(14)13-16(25)17-18(21)24(20(27)22(2)19(17)26)12-15-9-4-3-5-10-15/h3-5,9-10,14H,6-8,11-13,21H2,1-2H3/p+1/t14-/m1/s1