2-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(4-chloro-3-morpholinosulfonyl-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-chloro-3-morpholinosulfonyl-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C18H19ClN3O3S+ MolecularWeight: 392.87976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+]3=C(C4=CC=CC=C4C3)N)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+]3=C(C4=CC=CC=C4C3)N)Cl

InChI

InChI=1S/C18H18ClN3O3S/c19-16-6-5-14(22-12-13-3-1-2-4-15(13)18(22)20)11-17(16)26(23,24)21-7-9-25-10-8-21/h1-6,11,20H,7-10,12H2/p+1