6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-propan-2-yl-pyridine-3-sulfonamide

Systemtic Name: 6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-propan-2-yl-pyridine-3-sulfonamide Openeye Name: 6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-isopropyl-pyridine-3-sulfonamide CAS Name: 6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-propan-2-yl-3-pyridinesulfonamide IUPAC Name: 6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-propan-2-ylpyridine-3-sulfonamide Traditional Name: 6-[[(S)-(3,5-dimethoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-N-isopropyl-pyridine-3-sulfonamide Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CN=C(C=C1)NC(C2=CC(=CC(=C2)OC)OC)C3=[N+](C=CN3)C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CN=C(C=C1)N[C@@H](C2=CC(=CC(=C2)OC)OC)C3=[N+](C=CN3)C

InChI

InChI=1S/C21H27N5O4S/c1-14(2)25-31(27,28)18-6-7-19(23-13-18)24-20(21-22-8-9-26(21)3)15-10-16(29-4)12-17(11-15)30-5/h6-14,20,25H,1-5H3,(H,23,24)/p+1/t20-/m0/s1