[6-(3-bromophenyl)-3-ethyl-hexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium

Systemtic Name: [6-(3-bromophenyl)-3-ethyl-hexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium Openeye Name: [4-(3-bromophenyl)-1,1-diethyl-butyl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium CAS Name: [6-(3-bromophenyl)-3-ethylhexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium IUPAC Name: [6-(3-bromophenyl)-3-ethylhexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium Traditional Name: [4-(3-bromophenyl)-1,1-diethyl-butyl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium Formula: C31H57BrN+ MolecularWeight: 523.69498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC[N+](C)(CCC(CC)CC)C(CC)(CC)CCCC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCC(C)CC[N+](C)(CCC(CC)CC)C(CC)(CC)CCCC1=CC(=CC=C1)Br

InChI

InChI=1S/C31H57BrN/c1-8-13-14-17-27(6)21-24-33(7,25-22-28(9-2)10-3)31(11-4,12-5)23-16-19-29-18-15-20-30(32)26-29/h15,18,20,26-28H,8-14,16-17,19,21-25H2,1-7H3/q+1