2-(3,4-dimethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(4-ethyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)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)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-4-21-7-9-22(10-8-21)18-14(12-19)20-17(25-18)13-5-6-15(23-2)16(11-13)24-3/h5-6,11H,4,7-10H2,1-3H3/p+1