1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-22-17(12-18(25)23(2)20(22)27)14-24-10-8-16(9-11-24)19(26)21-13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,21,26)/p+1