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

Systemtic Name: 4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzamide chloride Openeye Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide chloride CAS Name: 4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzamide chloride IUPAC Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide chloride Traditional Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide chloride Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2.ClH/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);1H