furan-2-ylmethyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C22H26N2O2S/c1-16(2)20-10-4-7-17(3)22(20)23-21(25)15-24(13-18-8-5-11-26-18)14-19-9-6-12-27-19/h4-12,16H,13-15H2,1-3H3,(H,23,25)/p+1