[(2S,3S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC[NH+]1CCCCC1C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[NH3+]

InChI

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