N-ethyl-N-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-sulfonamide Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-N-ethyl-N-phenyl-pyridine-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridinesulfonamide IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-N-ethyl-N-phenyl-pyridine-3-sulfonamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-2-28(22-11-7-4-8-12-22)31(29,30)23-13-14-24(25-19-23)27-17-15-26(16-18-27)20-21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3/p+1