8-(4-phenethylpiperazin-4-ium-1-yl)sulfonylquinoline

Systemtic Name: 8-(4-phenethylpiperazin-4-ium-1-yl)sulfonylquinoline Openeye Name: 8-(4-phenethylpiperazin-4-ium-1-yl)sulfonylquinoline CAS Name: 8-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]quinoline IUPAC Name: 8-(4-phenethylpiperazin-4-ium-1-yl)sulfonylquinoline Traditional Name: 8-(4-phenethylpiperazin-4-ium-1-yl)sulfonylquinoline Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-27(26,20-10-4-8-19-9-5-12-22-21(19)20)24-16-14-23(15-17-24)13-11-18-6-2-1-3-7-18/h1-10,12H,11,13-17H2/p+1