(4-propan-2-ylphenyl)methyl-[2-(2,3,6-trimethylphenoxy)ethyl]azanium

Systemtic Name: (4-propan-2-ylphenyl)methyl-[2-(2,3,6-trimethylphenoxy)ethyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[2-(2,3,6-trimethylphenoxy)ethyl]ammonium CAS Name: (4-propan-2-ylphenyl)methyl-[2-(2,3,6-trimethylphenoxy)ethyl]ammonium IUPAC Name: (4-propan-2-ylphenyl)methyl-[2-(2,3,6-trimethylphenoxy)ethyl]azanium Traditional Name: (4-isopropylbenzyl)-[2-(2,3,6-trimethylphenoxy)ethyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC[NH2+]CC2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC[NH2+]CC2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H29NO/c1-15(2)20-10-8-19(9-11-20)14-22-12-13-23-21-17(4)7-6-16(3)18(21)5/h6-11,15,22H,12-14H2,1-5H3/p+1