1-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)-1-(thiophen-2-ylmethylamino)pyrrolidin-1-ium-3-carbonitrile

Systemtic Name: 1-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)-1-(thiophen-2-ylmethylamino)pyrrolidin-1-ium-3-carbonitrile Openeye Name: 1-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)-1-(2-thienylmethylamino)pyrrolidin-1-ium-3-carbonitrile CAS Name: 1-(2-cyanoethyl)-3-(5-cyano-2-thiophenyl)-5-(5-methylhexyl)-1-(thiophen-2-ylmethylamino)-3-pyrrolidin-1-iumcarbonitrile IUPAC Name: 1-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)-1-(thiophen-2-ylmethylamino)pyrrolidin-1-ium-3-carbonitrile Traditional Name: 1-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)-1-(2-thenylamino)pyrrolidin-1-ium-3-carbonitrile Formula: C25H32N5S2+ MolecularWeight: 466.68508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1CC(C[N+]1(CCC#N)NCC2=CC=CS2)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)CCCCC1CC(C[N+]1(CCC#N)NCC2=CC=CS2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C25H32N5S2/c1-20(2)7-3-4-8-21-15-25(18-28,24-11-10-22(16-27)32-24)19-30(21,13-6-12-26)29-17-23-9-5-14-31-23/h5,9-11,14,20-21,29H,3-4,6-8,13,15,17,19H2,1-2H3/q+1