1-(2-cyanoethyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-thiophen-2-yl-pyrrolidin-1-ium-3-carbonitrile

Systemtic Name: 1-(2-cyanoethyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-thiophen-2-yl-pyrrolidin-1-ium-3-carbonitrile Openeye Name: 1-(benzylamino)-1-(2-cyanoethyl)-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidin-1-ium-3-carbonitrile CAS Name: 1-(2-cyanoethyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-thiophen-2-yl-3-pyrrolidin-1-iumcarbonitrile IUPAC Name: 1-(benzylamino)-1-(2-cyanoethyl)-5-(5-methylhexyl)-3-thiophen-2-ylpyrrolidin-1-ium-3-carbonitrile Traditional Name: 1-(benzylamino)-1-(2-cyanoethyl)-5-(5-methylhexyl)-3-(2-thienyl)pyrrolidin-1-ium-3-carbonitrile Formula: C26H35N4S+ MolecularWeight: 435.6479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1CC(C[N+]1(CCC#N)NCC2=CC=CC=C2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)CCCCC1CC(C[N+]1(CCC#N)NCC2=CC=CC=C2)(C#N)C3=CC=CS3

InChI

InChI=1S/C26H35N4S/c1-22(2)10-6-7-13-24-18-26(20-28,25-14-8-17-31-25)21-30(24,16-9-15-27)29-19-23-11-4-3-5-12-23/h3-5,8,11-12,14,17,22,24,29H,6-7,9-10,13,16,18-19,21H2,1-2H3/q+1