3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2S/c24-26(25,16-17-6-2-1-3-7-17)23-12-10-22(11-13-23)15-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,21H,10-13,15-16H2/p+1