1-phenyl-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine

Systemtic Name: 1-phenyl-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Openeye Name: 1-phenyl-N-[4-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]piperazin-1-yl]methanimine CAS Name: 1-phenyl-N-[4-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-1-piperazinyl]methanimine IUPAC Name: 1-phenyl-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Traditional Name: (Z)-benzal-[4-(3-piperidinosulfonylpyridin-1-ium-4-yl)piperazino]amine Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)N=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)/N=C\C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c27-29(28,26-11-5-2-6-12-26)21-18-22-10-9-20(21)24-13-15-25(16-14-24)23-17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2/p+1/b23-17-