2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(E)-2-(3-methoxyphenyl)vinyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(E)-2-(3-methoxyphenyl)vinyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=NC(=C(O2)NCCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C20H24N4O3/c1-25-17-5-2-4-16(14-17)6-7-19-23-18(15-21)20(27-19)22-8-3-9-24-10-12-26-13-11-24/h2,4-7,14,22H,3,8-13H2,1H3/p+1/b7-6+