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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H29N3O3S/c1-30(28,29)26-14-4-5-20-15-21(10-11-22(20)26)23(27)24-16-18-6-8-19(9-7-18)17-25-12-2-3-13-25/h6-11,15H,2-5,12-14,16-17H2,1H3,(H,24,27)/p+1