2-(3-pyrrolidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-[3-(1-pyrrolidinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(3-pyrrolidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(3-pyrrolidinosulfonylphenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C18H19N3O2S/c19-18-17-9-2-1-6-14(17)13-21(18)15-7-5-8-16(12-15)24(22,23)20-10-3-4-11-20/h1-2,5-9,12,19H,3-4,10-11,13H2/p+1