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

Systemtic Name: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(4-methoxyphenyl)piperazino]pyridin-1-ium-3-sulfonamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O3S/c1-4-24(5-2)28(25,26)19-10-11-20(21-16-19)23-14-12-22(13-15-23)17-6-8-18(27-3)9-7-17/h6-11,16H,4-5,12-15H2,1-3H3/p+1