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

Systemtic Name: 2-[(4-ethoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-ethoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(4-ethoxyphenoxy)methyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-ethoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-ethoxyphenoxy)methyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C18H22N4O3/c1-3-23-14-4-6-15(7-5-14)24-13-17-20-16(12-19)18(25-17)22-10-8-21(2)9-11-22/h4-7H,3,8-11,13H2,1-2H3/p+1