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

Systemtic Name: 1-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]pyrrolidin-1-ium-3-carbonitrile Openeye Name: 1-(benzylamino)-1-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)pyrrolidin-1-ium-3-carbonitrile CAS Name: 1-(2-cyanoethyl)-3-(5-cyano-2-thiophenyl)-5-(5-methylhexyl)-1-[(phenylmethyl)amino]-3-pyrrolidin-1-iumcarbonitrile IUPAC Name: 1-(benzylamino)-1-(2-cyanoethyl)-3-(5-cyanothiophen-2-yl)-5-(5-methylhexyl)pyrrolidin-1-ium-3-carbonitrile Traditional Name: 1-(benzylamino)-1-(2-cyanoethyl)-3-(5-cyano-2-thienyl)-5-(5-methylhexyl)pyrrolidin-1-ium-3-carbonitrile Formula: C27H34N5S+ MolecularWeight: 460.65736

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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=C(S3)C#N

Isomeric SMILES

CC(C)CCCCC1CC(C[N+]1(CCC#N)NCC2=CC=CC=C2)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C27H34N5S/c1-22(2)9-6-7-12-24-17-27(20-30,26-14-13-25(18-29)33-26)21-32(24,16-8-15-28)31-19-23-10-4-3-5-11-23/h3-5,10-11,13-14,22,24,31H,6-9,12,16-17,19,21H2,1-2H3/q+1