[(2S)-1-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butan-2-yl]-butyl-methyl-azanium

Systemtic Name: [(2S)-1-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butan-2-yl]-butyl-methyl-azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-butyl-methyl-ammonium CAS Name: [(2S)-1-ammonio-4-(1,3-benzodioxol-5-yl)-2-methylbutan-2-yl]-butyl-methylammonium IUPAC Name: [(2S)-1-azaniumyl-4-(1,3-benzodioxol-5-yl)-2-methylbutan-2-yl]-butyl-methylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-butyl-methyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C)(CCC1=CC2=C(C=C1)OCO2)C[NH3+]

Isomeric SMILES

CCCC[NH+](C)[C@@](C)(CCC1=CC2=C(C=C1)OCO2)C[NH3+]

InChI

InChI=1S/C17H28N2O2/c1-4-5-10-19(3)17(2,12-18)9-8-14-6-7-15-16(11-14)21-13-20-15/h6-7,11H,4-5,8-10,12-13,18H2,1-3H3/p+2/t17-/m0/s1