3-(5-methyl-2-propan-2-yl-phenoxy)propyl-phenethyl-azanium

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenoxy)propyl-phenethyl-azanium Openeye Name: 3-(2-isopropyl-5-methyl-phenoxy)propyl-phenethyl-ammonium CAS Name: 3-(5-methyl-2-propan-2-ylphenoxy)propyl-phenethylammonium IUPAC Name: 3-(5-methyl-2-propan-2-ylphenoxy)propyl-phenethylazanium Traditional Name: 3-(2-isopropyl-5-methyl-phenoxy)propyl-phenethyl-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[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCC[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO/c1-17(2)20-11-10-18(3)16-21(20)23-15-7-13-22-14-12-19-8-5-4-6-9-19/h4-6,8-11,16-17,22H,7,12-15H2,1-3H3/p+1