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

Systemtic Name: 6-azanyl-5-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H36N5O4+ MolecularWeight: 434.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C22H35N5O4/c1-3-10-27-19(23)18(21(30)24(2)22(27)31)17(28)15-25-13-8-16(9-14-25)20(29)26-11-6-4-5-7-12-26/h16H,3-15,23H2,1-2H3/p+1