3-(1-hexadecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; thiocyanic acid

Systemtic Name: 3-(1-hexadecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; thiocyanic acid Openeye Name: 3-(1-hexadecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; thiocyanic acid CAS Name: 3-(1-hexadecyl-1-methyl-2-pyrrolidin-1-iumyl)pyridine; thiocyanic acid IUPAC Name: 3-(1-hexadecyl-1-methylpyrrolidin-1-ium-2-yl)pyridine; thiocyanic acid Traditional Name: 3-(1-cetyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; thiocyanic acid Formula: C27H48N3S+ MolecularWeight: 446.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N2.CHNS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28(2)23-18-20-26(28)25-19-17-21-27-24-25;2-1-3/h17,19,21,24,26H,3-16,18,20,22-23H2,1-2H3;3H/q+1;