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

Systemtic Name: methyl-[3-[[(2S)-pentan-2-yl]azaniumyl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[(1S)-1-methylbutyl]ammonio]propyl]ammonium CAS Name: methyl-[3-[[(2S)-pentan-2-yl]ammonio]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(2S)-pentan-2-yl]azaniumyl]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(1S)-1-methylbutyl]ammonio]propyl]ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-4-9-15(2)17-12-8-13-18(3)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,4,8-9,12-14H2,1-3H3/p+2/t15-/m0/s1