1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H23N2O/c1-4-10-22-15(2)12-19(16(22)3)20(23)14-21-11-9-17-7-5-6-8-18(17)13-21/h5-9,11-13H,4,10,14H2,1-3H3/q+1