1-(phenylsulfonyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(4-pyridin-1-iumylmethyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[4-(pyridin-1-ium-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=[NH+]C=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=[NH+]C=C4

InChI

InChI=1S/C23H23N3O3S/c27-23(22-7-4-16-26(22)30(28,29)21-5-2-1-3-6-21)25-20-10-8-18(9-11-20)17-19-12-14-24-15-13-19/h1-3,5-6,8-15,22H,4,7,16-17H2,(H,25,27)/p+1