2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium

Systemtic Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium Openeye Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium CAS Name: 2,2-dimethyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1H-benzo[f]isoquinolin-3-ium IUPAC Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium Traditional Name: 2,2-dimethyl-4-(2-piperidin-1-ium-1-ylethyl)-1H-benz[f]isoquinolin-3-ium Formula: C22H30N2+2 MolecularWeight: 322.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3/p+2