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

Systemtic Name: 6-azanyl-3-ethyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C21H29N4O3+ MolecularWeight: 385.47996

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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+]3CCCC(C3)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-24-20(27)18(17(26)14-23-11-7-8-15(2)12-23)19(22)25(21(24)28)13-16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14,22H2,1-2H3/p+1/t15-/m0/s1