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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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