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

Systemtic Name: N,N-diethyl-6-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-(4-benzyl-1-piperidyl)-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-benzylpiperidino)-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S/c1-3-24(4-2)27(25,26)20-10-11-21(22-17-20)23-14-12-19(13-15-23)16-18-8-6-5-7-9-18/h5-11,17,19H,3-4,12-16H2,1-2H3/p+1