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

Systemtic Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-methylsulfonyl-azanide Openeye Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-methylsulfonyl-azanide CAS Name: [(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-methylsulfonylazanide IUPAC Name: [(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-methylsulfonylazanide Traditional Name: mesyl-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]azanide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C(C[N-]S(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H25N4O3S/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/h3-9,14,18H,10-13,15H2,1-2H3/q-1/p+1/t18-/m1/s1