4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzamide

Systemtic Name: 4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzamide Openeye Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide CAS Name: 4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide Traditional Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide Formula: C18H16N3O2+ MolecularWeight: 306.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H15N3O2/c19-18(23)14-5-7-16(8-6-14)20-17(22)12-21-10-9-13-3-1-2-4-15(13)11-21/h1-11H,12H2,(H2-,19,20,22,23)/p+1