dimethyl-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]azanium

Systemtic Name: dimethyl-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]azanium Openeye Name: dimethyl-[4-[4-(1-methyl-1-phenyl-ethyl)phenoxy]butyl]ammonium CAS Name: dimethyl-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]ammonium IUPAC Name: dimethyl-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]azanium Traditional Name: 4-(4-cumylphenoxy)butyl-dimethyl-ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCC[NH+](C)C

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCC[NH+](C)C

InChI

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