2-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-3-carboxamide CAS Name: 2-(1-pyrrolidinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-pyrrolidino-N-(4-pyrrolidinosulfonylphenyl)pyridin-1-ium-3-carboxamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H24N4O3S/c25-20(18-6-5-11-21-19(18)23-12-1-2-13-23)22-16-7-9-17(10-8-16)28(26,27)24-14-3-4-15-24/h5-11H,1-4,12-15H2,(H,22,25)/p+1