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

Systemtic Name: N-ethyl-N-phenyl-6-[(1-propylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-[(1-propylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[(1-propyl-4-piperidin-1-iumyl)amino]-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-N-phenyl-6-[(1-propylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-[(1-propylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-sulfonamide Formula: C21H32N4O2S+2 MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-3-14-24-15-12-18(13-16-24)23-21-11-10-20(17-22-21)28(26,27)25(4-2)19-8-6-5-7-9-19/h5-11,17-18H,3-4,12-16H2,1-2H3,(H,22,23)/p+2