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

Systemtic Name: 2-(4-piperidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-(1-piperidylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-piperidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-piperidinosulfonylphenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C19H21N3O2S/c20-19-18-7-3-2-6-15(18)14-22(19)16-8-10-17(11-9-16)25(23,24)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-14H2/p+1