2-azaniumylethyl-[(2S)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(2,5-dimethoxyphenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(2,5-dimethoxybenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C15H28N2O2+2 MolecularWeight: 268.39502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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