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

Systemtic Name: 6-azanyl-5-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C27H38N5O4+ MolecularWeight: 496.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N5O4/c1-2-31-26(35)23(24(28)32(27(31)36)18-20-10-6-5-7-11-20)22(33)19-29-16-12-21(13-17-29)25(34)30-14-8-3-4-9-15-30/h5-7,10-11,21H,2-4,8-9,12-19,28H2,1H3/p+1