(2S)-2-acetamido-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-valeramide Formula: C16H27N4O2+ MolecularWeight: 307.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=C([NH+]=CC=C1)N(C)C)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=C([NH+]=CC=C1)N(C)C)NC(=O)C

InChI

InChI=1S/C16H26N4O2/c1-11(2)9-14(19-12(3)21)16(22)18-10-13-7-6-8-17-15(13)20(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,22)(H,19,21)/p+1/t14-/m0/s1