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

Systemtic Name: methyl-[3-[[(2S)-2-methylpentyl]azaniumyl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[(2S)-2-methylpentyl]ammonio]propyl]ammonium CAS Name: methyl-[3-[[(2S)-2-methylpentyl]ammonio]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(2S)-2-methylpentyl]azaniumyl]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(2S)-2-methylpentyl]ammonio]propyl]ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-4-9-16(2)14-18-12-8-13-19(3)15-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3/p+2/t16-/m0/s1