[(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(m-tolyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methylphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methylphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(m-tolyl)ethyl]-dibutyl-ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C(C[NH3+])C1=CC=CC(=C1)C

Isomeric SMILES

CCCC[NH+](CCCC)[C@H](C[NH3+])C1=CC=CC(=C1)C

InChI

InChI=1S/C17H30N2/c1-4-6-11-19(12-7-5-2)17(14-18)16-10-8-9-15(3)13-16/h8-10,13,17H,4-7,11-12,14,18H2,1-3H3/p+2/t17-/m1/s1