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

Systemtic Name: 4-(2-isoquinolin-2-ium-2-ylethanoylamino)-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-N-(4-methoxyphenyl)benzamide Formula: C25H22N3O3+ MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21N3O3/c1-31-23-12-10-22(11-13-23)27-25(30)19-6-8-21(9-7-19)26-24(29)17-28-15-14-18-4-2-3-5-20(18)16-28/h2-16H,17H2,1H3,(H-,26,27,29,30)/p+1