N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]ethanesulfonamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]ethanesulfonamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]ethanesulfonamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]ethanesulfonamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]ethanesulfonamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O3S/c1-3-28(25,26)22-16-20(17-5-4-10-21-15-17)24-13-11-23(12-14-24)18-6-8-19(27-2)9-7-18/h4-10,15,20,22H,3,11-14,16H2,1-2H3/p+1