[(2S,3S)-3-methyl-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]butyl]ammonium Formula: C15H33N3O+2 MolecularWeight: 271.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[NH3+]

InChI

InChI=1S/C15H31N3O/c1-5-12(2)13(16)14(19)17-11-15(3,4)18-9-7-6-8-10-18/h12-13H,5-11,16H2,1-4H3,(H,17,19)/p+2/t12-,13-/m0/s1