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

Systemtic Name: 6-azanyl-5-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C21H34N5O4+ MolecularWeight: 420.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C21H33N5O4/c1-2-9-26-18(22)17(19(28)23-21(26)30)16(27)14-24-12-7-15(8-13-24)20(29)25-10-5-3-4-6-11-25/h15H,2-14,22H2,1H3,(H,23,28,30)/p+1