[(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-butyl-ethyl-azanium

Systemtic Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1R)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-butyl-ethyl-ammonium CAS Name: [(2R)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-butyl-ethylammonium IUPAC Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-butyl-ethylazanium Traditional Name: [(1R)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-butyl-ethyl-ammonium Formula: C16H35N3O+2 MolecularWeight: 285.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C(C)C)C(=O)N1CCC(CC1)[NH3+]

Isomeric SMILES

CCCC[NH+](CC)[C@H](C(C)C)C(=O)N1CCC(CC1)[NH3+]

InChI

InChI=1S/C16H33N3O/c1-5-7-10-18(6-2)15(13(3)4)16(20)19-11-8-14(17)9-12-19/h13-15H,5-12,17H2,1-4H3/p+2/t15-/m1/s1