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

Systemtic Name: (E)-2-carboxy-3-(4-methoxyphenyl)-N-propyl-prop-2-enenitrilium Openeye Name: (E)-2-carboxy-3-(4-methoxyphenyl)-N-propyl-prop-2-enenitrilium CAS Name: (E)-2-carboxy-3-(4-methoxyphenyl)-N-propyl-2-propenenitrilium IUPAC Name: (E)-2-carboxy-3-(4-methoxyphenyl)-N-propylprop-2-enenitrilium Traditional Name: (E)-2-carboxy-3-(4-methoxyphenyl)-N-propyl-acrylonitrilium Formula: C14H16NO3+ MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-3-8-15-10-12(14(16)17)9-11-4-6-13(18-2)7-5-11/h4-7,9H,3,8H2,1-2H3/p+1/b12-9+