3-[[(2S)-heptan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-heptan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[(1S)-1-methylhexyl]ammonio]propyl]ammonium CAS Name: 3-[[(2S)-heptan-2-yl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-heptan-2-yl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-[[(1S)-1-methylhexyl]ammonio]propyl]ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C18H32N2/c1-4-5-7-11-17(2)19-14-10-15-20(3)16-18-12-8-6-9-13-18/h6,8-9,12-13,17,19H,4-5,7,10-11,14-16H2,1-3H3/p+2/t17-/m0/s1