6-[(4-dimethylaminophenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(4-dimethylaminophenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(4-dimethylaminophenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(4-dimethylaminophenyl)methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(4-dimethylaminophenyl)methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[[4-(dimethylamino)benzyl]amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H26N4O2S/c1-5-22(6-2)25(23,24)17-11-12-18(20-14-17)19-13-15-7-9-16(10-8-15)21(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,19,20)/p+1