2-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(2-methoxy-5-piperidinosulfonyl-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C20H23N3O3S/c1-26-19-10-9-16(27(24,25)22-11-5-2-6-12-22)13-18(19)23-14-15-7-3-4-8-17(15)20(23)21/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3/p+1