(2S)-2-acetamido-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: (2S)-2-acetamido-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: (2S)-2-acetamido-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]propanamide CAS Name: (2S)-2-acetamido-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (2S)-2-acetamido-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: (2S)-2-acetamido-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]propionamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C([NH+]=CC=C1)N(C)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=C([NH+]=CC=C1)N(C)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C19H24N4O2/c1-14(22-15(2)24)19(25)21-12-17-10-7-11-20-18(17)23(3)13-16-8-5-4-6-9-16/h4-11,14H,12-13H2,1-3H3,(H,21,25)(H,22,24)/p+1/t14-/m0/s1