5-(4-methylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(4-propoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)oxazole-4-carbonitrile Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C18H22N4O2/c1-3-12-23-15-6-4-14(5-7-15)17-20-16(13-19)18(24-17)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3/p+1