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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCCC[NH2+]CCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

InChI

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