[2-[2-azanylethanoyl-(4,6-dimethyl-2,3-dihydropyridin-2-yl)carbamoyl]-1-methyl-piperidin-1-ium-1-yl]boron

Systemtic Name: [2-[2-azanylethanoyl-(4,6-dimethyl-2,3-dihydropyridin-2-yl)carbamoyl]-1-methyl-piperidin-1-ium-1-yl]boron Openeye Name: [2-[(2-aminoacetyl)-(4,6-dimethyl-2,3-dihydropyridin-2-yl)carbamoyl]-1-methyl-piperidin-1-ium-1-yl]boron CAS Name: [2-[[(2-amino-1-oxoethyl)-(4,6-dimethyl-2,3-dihydropyridin-2-yl)amino]-oxomethyl]-1-methyl-1-piperidin-1-iumyl]boron IUPAC Name: [2-[(2-aminoacetyl)-(4,6-dimethyl-2,3-dihydropyridin-2-yl)carbamoyl]-1-methylpiperidin-1-ium-1-yl]boron Traditional Name: [2-[(4,6-dimethyl-2,3-dihydropyridin-2-yl)-glycyl-carbamoyl]-1-methyl-piperidin-1-ium-1-yl]boron Formula: C16H26BN4O2+ MolecularWeight: 317.21424

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Descriptors Computed from Structure

Canonical SMILES:

[B][N+]1(CCCCC1C(=O)N(C2CC(=CC(=N2)C)C)C(=O)CN)C

Isomeric SMILES

[B][N+]1(CCCCC1C(=O)N(C2CC(=CC(=N2)C)C)C(=O)CN)C

InChI

InChI=1S/C16H26BN4O2/c1-11-8-12(2)19-14(9-11)20(15(22)10-18)16(23)13-6-4-5-7-21(13,3)17/h8,13-14H,4-7,9-10,18H2,1-3H3/q+1