[(2S)-1-azaniumyl-2-methyl-4-phenyl-butan-2-yl]-butyl-methyl-azanium

Systemtic Name: [(2S)-1-azaniumyl-2-methyl-4-phenyl-butan-2-yl]-butyl-methyl-azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-1-methyl-3-phenyl-propyl]-butyl-methyl-ammonium CAS Name: [(2S)-1-ammonio-2-methyl-4-phenylbutan-2-yl]-butyl-methylammonium IUPAC Name: [(2S)-1-azaniumyl-2-methyl-4-phenylbutan-2-yl]-butyl-methylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-1-methyl-3-phenyl-propyl]-butyl-methyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C)(CCC1=CC=CC=C1)C[NH3+]

Isomeric SMILES

CCCC[NH+](C)[C@@](C)(CCC1=CC=CC=C1)C[NH3+]

InChI

InChI=1S/C16H28N2/c1-4-5-13-18(3)16(2,14-17)12-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14,17H2,1-3H3/p+2/t16-/m0/s1