N-ethyl-N-phenyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridinesulfonamide IUPAC Name: N-ethyl-N-phenyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridine-3-sulfonamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C25H30N4O2S/c1-2-29(23-12-4-3-5-13-23)32(30,31)24-14-15-25(27-19-24)26-18-21-10-6-7-11-22(21)20-28-16-8-9-17-28/h3-7,10-15,19H,2,8-9,16-18,20H2,1H3,(H,26,27)/p+1