methyl-pent-4-en-2-ynyl-(phenylmethyl)-prop-2-ynyl-azanium

Systemtic Name: methyl-pent-4-en-2-ynyl-(phenylmethyl)-prop-2-ynyl-azanium Openeye Name: benzyl-methyl-pent-4-en-2-ynyl-prop-2-ynyl-ammonium CAS Name: methyl-pent-4-en-2-ynyl-(phenylmethyl)-prop-2-ynylammonium IUPAC Name: benzyl-methyl-pent-4-en-2-ynyl-prop-2-ynylazanium Traditional Name: benzyl-methyl-pent-4-en-2-ynyl-propargyl-ammonium Formula: C16H18N+ MolecularWeight: 224.32082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC#C)(CC#CC=C)CC1=CC=CC=C1

Isomeric SMILES

C[N+](CC#C)(CC#CC=C)CC1=CC=CC=C1

InChI

InChI=1S/C16H18N/c1-4-6-10-14-17(3,13-5-2)15-16-11-8-7-9-12-16/h2,4,7-9,11-12H,1,13-15H2,3H3/q+1