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

Systemtic Name: [(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]ammonium Formula: C14H31N3O+2 MolecularWeight: 257.41544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29N3O/c1-11(2)13(15)14(18)16-8-6-10-17-9-5-4-7-12(17)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)/p+2/t12-,13-/m0/s1