[(2S)-4-methyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]pentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]butyl]ammonium Formula: C13H31N3+2 MolecularWeight: 229.40534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN(C)C1CC[NH+](CC1)C)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](CN(C)C1CC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C13H29N3/c1-11(2)9-12(14)10-16(4)13-5-7-15(3)8-6-13/h11-13H,5-10,14H2,1-4H3/p+2/t12-/m0/s1