N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(4-phenylmethoxyphenyl)ethanediamide

Systemtic Name: N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(4-phenylmethoxyphenyl)ethanediamide Openeye Name: N-(4-benzyloxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide CAS Name: N'-[(1-methyl-4-piperidin-1-iumylidene)amino]-N-(4-phenylmethoxyphenyl)oxamide IUPAC Name: N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(4-phenylmethoxyphenyl)oxamide Traditional Name: N-(4-benzoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC1

InChI

InChI=1S/C21H24N4O3/c1-25-13-11-18(12-14-25)23-24-21(27)20(26)22-17-7-9-19(10-8-17)28-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,26)(H,24,27)/p+1