6-azanyl-5-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC)N

InChI

InChI=1S/C22H30N4O4/c1-3-12-26-20(23)19(21(28)24-22(26)29)18(27)14-25-13-6-4-5-7-17(25)15-8-10-16(30-2)11-9-15/h8-11,17H,3-7,12-14,23H2,1-2H3,(H,24,28,29)/p+1/t17-/m1/s1