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

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]methanesulfonamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]methanesulfonamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]methanesulfonamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]methanesulfonamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C(CNS(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H](CNS(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C19H26N4O3S/c1-26-19-8-4-3-7-17(19)22-10-12-23(13-11-22)18(15-21-27(2,24)25)16-6-5-9-20-14-16/h3-9,14,18,21H,10-13,15H2,1-2H3/p+1/t18-/m1/s1