isoquinolin-1-yl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: isoquinolin-1-yl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: 1-isoquinolyl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-yl]methanone CAS Name: 1-isoquinolinyl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: isoquinolin-1-yl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-yl]methanone Traditional Name: 1-isoquinolyl-[4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazino]methanone Formula: C19H22N5O+ MolecularWeight: 336.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C19H21N5O/c1-22-9-8-20-17(22)14-23-10-12-24(13-11-23)19(25)18-16-5-3-2-4-15(16)6-7-21-18/h2-9H,10-14H2,1H3/p+1