[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl]-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C24H27N3O2S/c1-20-10-11-23(30-20)18-26(15-12-21-7-3-2-4-8-21)19-24(28)27(14-6-13-25)17-22-9-5-16-29-22/h2-5,7-11,16H,6,12,14-15,17-19H2,1H3/p+1