[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C21H23N3O4S/c1-15(25)22-16-7-8-20(27-2)19(11-16)23-21(26)14-24(12-17-5-3-9-28-17)13-18-6-4-10-29-18/h3-11H,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1