[4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-oxo-butyl]ammonium CAS Name: [4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]butyl]ammonium Formula: C13H29N3O+2 MolecularWeight: 243.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCC[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCC[NH3+]

InChI

InChI=1S/C13H27N3O/c1-12-6-2-3-10-16(12)11-5-9-15-13(17)7-4-8-14/h12H,2-11,14H2,1H3,(H,15,17)/p+2/t12-/m0/s1