ethyl 2-(pyrrolidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(pyrrolidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-(pyrrolidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyrrolidin-1-ium-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C19H22N3O2+ MolecularWeight: 324.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C19H21N3O2/c1-2-24-19(23)17-16(13-21-10-5-6-11-21)20-18-15-8-4-3-7-14(15)9-12-22(17)18/h3-4,7-9,12H,2,5-6,10-11,13H2,1H3/p+1