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

Systemtic Name: N-cyclopentyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: N-cyclopentyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: N-cyclopentyl-6-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N-cyclopentyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: N-cyclopentyl-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O2S/c27-29(28,25-20-9-3-4-10-20)21-11-12-22(24-16-21)23-15-18-7-1-2-8-19(18)17-26-13-5-6-14-26/h1-2,7-8,11-12,16,20,25H,3-6,9-10,13-15,17H2,(H,23,24)/p+2