2-(4-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(4-morpholinosulfonylphenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-(4-morpholinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-morpholinosulfonylphenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c19-18-17-4-2-1-3-14(17)13-21(18)15-5-7-16(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8,19H,9-13H2/p+1