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

Systemtic Name: 2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(3-morpholinosulfonylphenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-[3-(4-morpholinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(3-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=CC(=C2)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

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

InChI

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