2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium

Systemtic Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium Openeye Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium CAS Name: 2-[4-(1-methyl-1-pyrrolidin-1-iumyl)butyl]isoquinolin-2-ium IUPAC Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium Traditional Name: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium Formula: C18H26N2+2 MolecularWeight: 270.41244

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCCC[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[N+]1(CCCC1)CCCC[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H26N2/c1-20(14-6-7-15-20)13-5-4-11-19-12-10-17-8-2-3-9-18(17)16-19/h2-3,8-10,12,16H,4-7,11,13-15H2,1H3/q+2