(E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)prop-2-enenitrilium

Systemtic Name: (E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)prop-2-enenitrilium Openeye Name: (E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)prop-2-enenitrilium CAS Name: (E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)-2-propenenitrilium IUPAC Name: (E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)prop-2-enenitrilium Traditional Name: (E)-2-carboxy-N-hexyl-3-(4-methoxyphenyl)acrylonitrilium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[N+]#C/C(=C\C1=CC=C(C=C1)OC)/C(=O)O

InChI

InChI=1S/C17H21NO3/c1-3-4-5-6-11-18-13-15(17(19)20)12-14-7-9-16(21-2)10-8-14/h7-10,12H,3-6,11H2,1-2H3/p+1/b15-12+