N-ethyl-6-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[(1-ethyl-4-piperidin-1-iumyl)amino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C20H30N4O2S+2 MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-3-23-14-12-17(13-15-23)22-20-11-10-19(16-21-20)27(25,26)24(4-2)18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,21,22)/p+2