N,N-diethyl-4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzamide

Systemtic Name: N,N-diethyl-4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzamide Openeye Name: N,N-diethyl-4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide CAS Name: N,N-diethyl-4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide Traditional Name: N,N-diethyl-4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23N3O2/c1-3-25(4-2)22(27)18-9-11-20(12-10-18)23-21(26)16-24-14-13-17-7-5-6-8-19(17)15-24/h5-15H,3-4,16H2,1-2H3/p+1