butyl-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]azanium

Systemtic Name: butyl-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]azanium Openeye Name: butyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium CAS Name: butyl-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]ammonium IUPAC Name: butyl-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]azanium Traditional Name: butyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-5-6-11-19-12-7-8-13-20-18-14-16(4)9-10-17(18)15(2)3/h9-10,14-15,19H,5-6,11-13H2,1-4H3/p+1