4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: 4-(1,3-dioxo-2-isoindolyl)butyl-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-(4-phthalimidobutyl)-(2-thenyl)ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[NH+](CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[NH+](CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C22H22N2O3S/c25-21-19-9-1-2-10-20(19)22(26)24(21)12-4-3-11-23(15-17-7-5-13-27-17)16-18-8-6-14-28-18/h1-2,5-10,13-14H,3-4,11-12,15-16H2/p+1