2-isoquinolin-2-ium-2-yl-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(3-phenylpropyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(3-phenylpropyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-phenylpropyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(3-phenylpropyl)acetamide Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O/c23-20(21-13-6-9-17-7-2-1-3-8-17)16-22-14-12-18-10-4-5-11-19(18)15-22/h1-5,7-8,10-12,14-15H,6,9,13,16H2/p+1