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

Systemtic Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-dibutyl-azanium Openeye Name: [(1R)-1-(4-azaniumylpiperidine-1-carbonyl)-2-methyl-propyl]-dibutyl-ammonium CAS Name: [(2R)-1-(4-ammonio-1-piperidinyl)-3-methyl-1-oxobutan-2-yl]-dibutylammonium IUPAC Name: [(2R)-1-(4-azaniumylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-dibutylazanium Traditional Name: [(1R)-1-(4-ammoniopiperidine-1-carbonyl)-2-methyl-propyl]-dibutyl-ammonium Formula: C18H39N3O+2 MolecularWeight: 313.52176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H37N3O/c1-5-7-11-20(12-8-6-2)17(15(3)4)18(22)21-13-9-16(19)10-14-21/h15-17H,5-14,19H2,1-4H3/p+2/t17-/m1/s1