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

Systemtic Name: methylsulfonyl-[(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]-methylsulfonyl-azanide CAS Name: methylsulfonyl-[(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]-methylsulfonylazanide Traditional Name: [(2S)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-mesyl-azanide Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N4O2S/c1-26(24,25)21-15-19(18-8-5-9-20-14-18)23-12-10-22(11-13-23)16-17-6-3-2-4-7-17/h2-9,14,19H,10-13,15-16H2,1H3/q-1/p+1/t19-/m1/s1