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

Systemtic Name: (5-carboxy-1H-indol-3-yl)-cyano-(phenylmethyl)-prop-2-enoyl-azanium Openeye Name: benzyl-(5-carboxy-1H-indol-3-yl)-cyano-prop-2-enoyl-ammonium CAS Name: (5-carboxy-1H-indol-3-yl)-cyano-(1-oxoprop-2-enyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(5-carboxy-1H-indol-3-yl)-cyano-prop-2-enoylazanium Traditional Name: acryloyl-benzyl-(5-carboxy-1H-indol-3-yl)-cyano-ammonium Formula: C20H16N3O3+ MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[N+](CC1=CC=CC=C1)(C#N)C2=CNC3=C2C=C(C=C3)C(=O)O

Isomeric SMILES

C=CC(=O)[N+](CC1=CC=CC=C1)(C#N)C2=CNC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C20H15N3O3/c1-2-19(24)23(13-21,12-14-6-4-3-5-7-14)18-11-22-17-9-8-15(20(25)26)10-16(17)18/h2-11,22H,1,12H2/p+1