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

Systemtic Name: (3S)-1-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-methyl-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-25-13-6-8-18(16-25)21(27)24-15-17-7-5-12-23-20(17)26(2)14-10-19-9-3-4-11-22-19/h3-5,7,9,11-12,18H,6,8,10,13-16H2,1-2H3,(H,24,27)/p+2/t18-/m0/s1