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

Systemtic Name: 2-[(4-methoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-methoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(4-methoxyphenoxy)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-methoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-methoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C17H20N4O3/c1-20-7-9-21(10-8-20)17-15(11-18)19-16(24-17)12-23-14-5-3-13(22-2)4-6-14/h3-6H,7-10,12H2,1-2H3/p+1