4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[4-(1,3-dioxoisoindolin-2-yl)butyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[4-(1,3-dioxo-2-isoindolyl)butyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-methyl-(4-phthalimidobutyl)ammonium Formula: C18H20ClN2O2S+ MolecularWeight: 363.8816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(S3)Cl

Isomeric SMILES

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-20(12-13-8-9-16(19)24-13)10-4-5-11-21-17(22)14-6-2-3-7-15(14)18(21)23/h2-3,6-9H,4-5,10-12H2,1H3/p+1