1-(3-aminophenyl)ethyl-but-2-ynyl-methyl-prop-2-enyl-azanium chloride

Systemtic Name: 1-(3-aminophenyl)ethyl-but-2-ynyl-methyl-prop-2-enyl-azanium chloride Openeye Name: allyl-[1-(3-aminophenyl)ethyl]-but-2-ynyl-methyl-ammonium chloride CAS Name: 1-(3-aminophenyl)ethyl-but-2-ynyl-methyl-prop-2-enylammonium chloride IUPAC Name: 1-(3-aminophenyl)ethyl-but-2-ynyl-methyl-prop-2-enylazanium chloride Traditional Name: allyl-[1-(3-aminophenyl)ethyl]-but-2-ynyl-methyl-ammonium chloride Formula: C16H23ClN2 MolecularWeight: 278.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[N+](C)(CC=C)C(C)C1=CC(=CC=C1)N.[Cl-]

Isomeric SMILES

CC#CC[N+](C)(CC=C)C(C)C1=CC(=CC=C1)N.[Cl-]

InChI

InChI=1S/C16H23N2.ClH/c1-5-7-12-18(4,11-6-2)14(3)15-9-8-10-16(17)13-15;/h6,8-10,13-14H,2,11-12,17H2,1,3-4H3;1H/q+1;/p-1