2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-yl)quinolin-1-ium CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 2-(4-indan-5-ylsulfonylpiperazino)quinolin-1-ium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=[NH+]C5=CC=CC=C5C=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=[NH+]C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H23N3O2S/c26-28(27,20-10-8-17-5-3-6-19(17)16-20)25-14-12-24(13-15-25)22-11-9-18-4-1-2-7-21(18)23-22/h1-2,4,7-11,16H,3,5-6,12-15H2/p+1