N-ethyl-N-phenyl-6-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]pyridine-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]pyridine-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]pyridine-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-3-pyridinesulfonamide IUPAC Name: N-ethyl-N-phenyl-6-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]pyridine-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]pyridine-3-sulfonamide Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC[NH+]4CCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C23H33N5O2S/c1-2-28(21-8-4-3-5-9-21)31(29,30)22-10-11-23(24-20-22)27-18-16-26(17-19-27)15-14-25-12-6-7-13-25/h3-5,8-11,20H,2,6-7,12-19H2,1H3/p+1