2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)quinolin-1-ium CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)quinolin-1-ium Traditional Name: 2-(4-benzylsulfonylpiperazino)quinolin-1-ium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c24-26(25,16-17-6-2-1-3-7-17)23-14-12-22(13-15-23)20-11-10-18-8-4-5-9-19(18)21-20/h1-11H,12-16H2/p+1