furan-2-ylmethyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-(2-thenyl)ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c26-22(23-18-7-9-19(10-8-18)25-11-1-2-12-25)17-24(15-20-5-3-13-27-20)16-21-6-4-14-28-21/h3-10,13-14H,1-2,11-12,15-17H2,(H,23,26)/p+1