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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(1-naphthylmethyl)oxazole-4-carbonitrile Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H22N4O/c1-2-24-10-12-25(13-11-24)21-19(15-22)23-20(26-21)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,2,10-14H2,1H3/p+1