[(1S)-2-azaniumyl-1-(2-methylphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2-methylphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(o-tolyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-methylphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-methylphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(o-tolyl)ethyl]-butyl-methyl-ammonium Formula: C14H26N2+2 MolecularWeight: 222.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=CC=C1C

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=CC=C1C

InChI

InChI=1S/C14H24N2/c1-4-5-10-16(3)14(11-15)13-9-7-6-8-12(13)2/h6-9,14H,4-5,10-11,15H2,1-3H3/p+2/t14-/m1/s1