3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]quinoline-8-sulfonamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O2S/c1-17-13-18-9-6-10-21(22(18)23-14-17)28(26,27)24-15-19-7-2-3-8-20(19)16-25-11-4-5-12-25/h2-3,6-10,13-14,24H,4-5,11-12,15-16H2,1H3/p+1