1-ethanoyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

Systemtic Name: 1-ethanoyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Openeye Name: 1-acetyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide CAS Name: 1-acetyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide IUPAC Name: 1-acetyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Traditional Name: 1-acetyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H29N3O3S/c1-18(27)26-14-6-9-19-15-22(10-11-23(19)26)30(28,29)24-16-20-7-2-3-8-21(20)17-25-12-4-5-13-25/h2-3,7-8,10-11,15,24H,4-6,9,12-14,16-17H2,1H3/p+1