2-azaniumylethyl-[(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(3,4-dimethoxyphenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-[(1S)-1-methylpropyl]-veratryl-ammonium Formula: C15H28N2O2+2 MolecularWeight: 268.39502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC[NH3+])CC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC[C@H](C)[NH+](CC[NH3+])CC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C15H26N2O2/c1-5-12(2)17(9-8-16)11-13-6-7-14(18-3)15(10-13)19-4/h6-7,10,12H,5,8-9,11,16H2,1-4H3/p+2/t12-/m0/s1