3-[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]pyridine thiocyanate

Systemtic Name: 3-[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]pyridine thiocyanate Openeye Name: 3-(1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate CAS Name: 3-[1-methyl-1-(phenylmethyl)-2-pyrrolidin-1-iumyl]pyridine thiocyanate IUPAC Name: 3-(1-benzyl-1-methylpyrrolidin-1-ium-2-yl)pyridine thiocyanate Traditional Name: 3-(1-benzyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate Formula: C18H21N3S MolecularWeight: 311.44444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2=CN=CC=C2)CC3=CC=CC=C3.C(#N)[S-]

Isomeric SMILES

C[N+]1(CCCC1C2=CN=CC=C2)CC3=CC=CC=C3.C(#N)[S-]

InChI

InChI=1S/C17H21N2.CHNS/c1-19(14-15-7-3-2-4-8-15)12-6-10-17(19)16-9-5-11-18-13-16;2-1-3/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3;3H/q+1;/p-1