3-azanyl-1-[(2-bromophenyl)methyl]-3-methyl-5-piperidin-1-yl-pyrimidin-3-ium-2,4-dione

Systemtic Name: 3-azanyl-1-[(2-bromophenyl)methyl]-3-methyl-5-piperidin-1-yl-pyrimidin-3-ium-2,4-dione Openeye Name: 3-amino-1-[(2-bromophenyl)methyl]-3-methyl-5-(1-piperidyl)pyrimidin-3-ium-2,4-dione CAS Name: 3-amino-1-[(2-bromophenyl)methyl]-3-methyl-5-(1-piperidinyl)pyrimidin-3-ium-2,4-dione IUPAC Name: 3-amino-1-[(2-bromophenyl)methyl]-3-methyl-5-piperidin-1-ylpyrimidin-3-ium-2,4-dione Traditional Name: 3-amino-1-(2-bromobenzyl)-3-methyl-5-piperidino-pyrimidin-3-ium-2,4-quinone Formula: C17H22BrN4O2+ MolecularWeight: 394.28618

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C(=CN(C1=O)CC2=CC=CC=C2Br)N3CCCCC3)N

Isomeric SMILES

C[N+]1(C(=O)C(=CN(C1=O)CC2=CC=CC=C2Br)N3CCCCC3)N

InChI

InChI=1S/C17H22BrN4O2/c1-22(19)16(23)15(20-9-5-2-6-10-20)12-21(17(22)24)11-13-7-3-4-8-14(13)18/h3-4,7-8,12H,2,5-6,9-11,19H2,1H3/q+1