[(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropylphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-propan-2-ylphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-propan-2-ylphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-p-cumenyl-ethyl]-butyl-methyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-5-6-11-18(4)16(12-17)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,5-6,11-12,17H2,1-4H3/p+2/t16-/m1/s1