3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-propan-2-yl-azanium

Systemtic Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-propan-2-ylammonium IUPAC Name: 3-[4-(2-phenylpropan-2-yl)phenoxy]propyl-propan-2-ylazanium Traditional Name: 3-(4-cumylphenoxy)propyl-isopropyl-ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)[NH2+]CCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

InChI

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