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

Systemtic Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium Openeye Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium CAS Name: 2,2-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1H-benzo[f]isoquinolin-3-ium IUPAC Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzo[f]isoquinolin-3-ium Traditional Name: 2,2-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benz[f]isoquinolin-3-ium Formula: C21H28N2+2 MolecularWeight: 308.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC[NH+]4CCCC4)C

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC[NH+]4CCCC4)C

InChI

InChI=1S/C21H26N2/c1-21(2)15-19-17-8-4-3-7-16(17)9-10-18(19)20(22-21)11-14-23-12-5-6-13-23/h3-4,7-10H,5-6,11-15H2,1-2H3/p+2