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

Systemtic Name: (2S)-1-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-methyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-24-14-7-6-12-19(24)21(26)23-15-18-11-8-13-22-20(18)25(2)16-17-9-4-3-5-10-17/h3-5,8-11,13,19H,6-7,12,14-16H2,1-2H3,(H,23,26)/p+2/t19-/m0/s1