5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-benzyloxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-2-(4-phenylmethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4O3/c25-17-22-24(26-11-4-12-28-13-15-29-16-14-28)31-23(27-22)20-7-9-21(10-8-20)30-18-19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-16,18H2/p+1