1-benzothiophen-3-ylmethyl-bis[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium

Systemtic Name: 1-benzothiophen-3-ylmethyl-bis[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: benzothiophen-3-ylmethyl-bis[(1,3-dioxoisoindolin-2-yl)methyl]ammonium CAS Name: 1-benzothiophen-3-ylmethyl-bis[(1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: 1-benzothiophen-3-ylmethyl-bis[(1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: benzothiophen-3-ylmethyl-bis(phthalimidomethyl)ammonium Formula: C27H20N3O4S+ MolecularWeight: 482.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C[NH+](CC3=CSC4=CC=CC=C43)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[NH+](CC3=CSC4=CC=CC=C43)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H19N3O4S/c31-24-19-8-1-2-9-20(19)25(32)29(24)15-28(13-17-14-35-23-12-6-5-7-18(17)23)16-30-26(33)21-10-3-4-11-22(21)27(30)34/h1-12,14H,13,15-16H2/p+1