5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C26H30N5O3S+ MolecularWeight: 492.6131

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CC[NH+](CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H29N5O3S/c27-19-24-26(30-17-15-29(16-18-30)20-21-7-3-1-4-8-21)34-25(28-24)22-9-11-23(12-10-22)35(32,33)31-13-5-2-6-14-31/h1,3-4,7-12H,2,5-6,13-18,20H2/p+1