3-[1-[(2-chlorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid Openeye Name: 3-[1-[(2-chlorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid CAS Name: 3-[1-[(2-chlorophenyl)methyl]-1-methyl-2-pyrrolidin-1-iumyl]pyridine; thiocyanic acid IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid Traditional Name: 3-[1-(2-chlorobenzyl)-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; thiocyanic acid Formula: C18H21ClN3S+ MolecularWeight: 346.89744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2=CN=CC=C2)CC3=CC=CC=C3Cl.C(#N)S

Isomeric SMILES

C[N+]1(CCCC1C2=CN=CC=C2)CC3=CC=CC=C3Cl.C(#N)S

InChI

InChI=1S/C17H20ClN2.CHNS/c1-20(13-15-6-2-3-8-16(15)18)11-5-9-17(20)14-7-4-10-19-12-14;2-1-3/h2-4,6-8,10,12,17H,5,9,11,13H2,1H3;3H/q+1;