2-azaniumylethyl-(2-methylpropyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-(2-methylpropyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-isobutyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-ammonioethyl-(2-methylpropyl)-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-(2-methylpropyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-isobutyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C16H30N2O3+2 MolecularWeight: 298.421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O3/c1-12(2)10-18(7-6-17)11-13-8-14(19-3)16(21-5)15(9-13)20-4/h8-9,12H,6-7,10-11,17H2,1-5H3/p+2