2-[(3-methylphenoxy)methyl]-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H22N4O3/c1-14-3-2-4-15(11-14)24-13-17-21-16(12-19)18(25-17)20-5-6-22-7-9-23-10-8-22/h2-4,11,20H,5-10,13H2,1H3/p+1