2,6-dimethylheptan-4-yl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: 2,6-dimethylheptan-4-yl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(1-isobutyl-3-methyl-butyl)ammonium CAS Name: 2,6-dimethylheptan-4-yl-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: 2,6-dimethylheptan-4-yl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(1-isobutyl-3-methyl-butyl)ammonium Formula: C16H36N2+2 MolecularWeight: 256.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]C(CC(C)C)CC(C)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1C[NH2+]C(CC(C)C)CC(C)C

InChI

InChI=1S/C16H34N2/c1-6-18-9-7-8-16(18)12-17-15(10-13(2)3)11-14(4)5/h13-17H,6-12H2,1-5H3/p+2/t16-/m0/s1