4-(4-chloranyl-3-methyl-phenoxy)but-2-ynyl-methyl-azanium

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)but-2-ynyl-methyl-azanium Openeye Name: 4-(4-chloro-3-methyl-phenoxy)but-2-ynyl-methyl-ammonium CAS Name: 4-(4-chloro-3-methylphenoxy)but-2-ynyl-methylammonium IUPAC Name: 4-(4-chloro-3-methylphenoxy)but-2-ynyl-methylazanium Traditional Name: 4-(4-chloro-3-methyl-phenoxy)but-2-ynyl-methyl-ammonium Formula: C12H15ClNO+ MolecularWeight: 224.7066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC#CC[NH2+]C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC#CC[NH2+]C)Cl

InChI

InChI=1S/C12H14ClNO/c1-10-9-11(5-6-12(10)13)15-8-4-3-7-14-2/h5-6,9,14H,7-8H2,1-2H3/p+1