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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)C#N

InChI

InChI=1S/C22H29N5O3S/c1-3-25-12-14-26(15-13-25)22-20(16-23)24-21(30-22)18-4-6-19(7-5-18)31(28,29)27-10-8-17(2)9-11-27/h4-7,17H,3,8-15H2,1-2H3/p+1