6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C17H24N4O2S+2 MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H22N4O2S/c18-24(22,23)16-7-8-17(20-12-16)19-11-14-3-5-15(6-4-14)13-21-9-1-2-10-21/h3-8,12H,1-2,9-11,13H2,(H,19,20)(H2,18,22,23)/p+2