methyl-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-(2-isopropyl-5-methyl-phenoxy)propyl]-methyl-ammonium CAS Name: methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium Traditional Name: benzyl-[3-(2-isopropyl-5-methyl-phenoxy)propyl]-methyl-ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C21H29NO/c1-17(2)20-12-11-18(3)15-21(20)23-14-8-13-22(4)16-19-9-6-5-7-10-19/h5-7,9-12,15,17H,8,13-14,16H2,1-4H3/p+1