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

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenoxymethyl)oxazole-4-carbonitrile CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-2-(phenoxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenoxymethyl)oxazole-4-carbonitrile Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC=CC=C3)C#N

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(N=C(O2)COC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H22N4O3/c19-13-16-18(20-7-4-8-22-9-11-23-12-10-22)25-17(21-16)14-24-15-5-2-1-3-6-15/h1-3,5-6,20H,4,7-12,14H2/p+1