(5-carboxy-1H-indol-3-yl)-cyano-phenethyl-prop-2-enoyl-azanium

Systemtic Name: (5-carboxy-1H-indol-3-yl)-cyano-phenethyl-prop-2-enoyl-azanium Openeye Name: (5-carboxy-1H-indol-3-yl)-cyano-phenethyl-prop-2-enoyl-ammonium CAS Name: (5-carboxy-1H-indol-3-yl)-cyano-(1-oxoprop-2-enyl)-phenethylammonium IUPAC Name: (5-carboxy-1H-indol-3-yl)-cyano-phenethyl-prop-2-enoylazanium Traditional Name: acryloyl-(5-carboxy-1H-indol-3-yl)-cyano-phenethyl-ammonium Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[N+](CCC1=CC=CC=C1)(C#N)C2=CNC3=C2C=C(C=C3)C(=O)O

Isomeric SMILES

C=CC(=O)[N+](CCC1=CC=CC=C1)(C#N)C2=CNC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17N3O3/c1-2-20(25)24(14-22,11-10-15-6-4-3-5-7-15)19-13-23-18-9-8-16(21(26)27)12-17(18)19/h2-9,12-13,23H,1,10-11H2/p+1