N-ethyl-6-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(C)(C)[NH+]3CCOCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(C)(C)[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O3S/c1-4-25(18-8-6-5-7-9-18)29(26,27)19-10-11-20(22-16-19)23-17-21(2,3)24-12-14-28-15-13-24/h5-11,16H,4,12-15,17H2,1-3H3,(H,22,23)/p+2