5-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CC[NH+](CC4)C)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CC[NH+](CC4)C)C#N

InChI

InChI=1S/C21H27N5O3S/c1-16-7-9-26(10-8-16)30(27,28)18-5-3-17(4-6-18)20-23-19(15-22)21(29-20)25-13-11-24(2)12-14-25/h3-6,16H,7-14H2,1-2H3/p+1