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

Systemtic Name: N,N-diethyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(3-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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