2,3-bis(chloranyl)-4-methoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 2,3-bis(chloranyl)-4-methoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 2,3-dichloro-4-methoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 2,3-dichloro-4-methoxy-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 2,3-dichloro-4-methoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 2,3-dichloro-4-methoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C14H21Cl2N2O3S+ MolecularWeight: 368.29914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)Cl)Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCC2)Cl)Cl

InChI

InChI=1S/C14H20Cl2N2O3S/c1-21-11-5-6-12(14(16)13(11)15)22(19,20)17-7-4-10-18-8-2-3-9-18/h5-6,17H,2-4,7-10H2,1H3/p+1