N,N-diethyl-6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C21H32N4O2S+2 MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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