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

Systemtic Name: ethylsulfonyl-[(2S)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]azanide Openeye Name: [(2S)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-ethylsulfonyl-azanide CAS Name: ethylsulfonyl-[(2S)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]azanide IUPAC Name: [(2S)-2-(4-benzylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]-ethylsulfonylazanide Traditional Name: [(2S)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-esyl-azanide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N-]CC(C1=CN=CC=C1)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)[N-]C[C@H](C1=CN=CC=C1)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N4O2S/c1-2-27(25,26)22-16-20(19-9-6-10-21-15-19)24-13-11-23(12-14-24)17-18-7-4-3-5-8-18/h3-10,15,20H,2,11-14,16-17H2,1H3/q-1/p+1/t20-/m1/s1