1-[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(4-ethoxyphenoxy)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H27N3O4/c1-2-28-18-7-9-20(10-8-18)29-19-5-3-17(4-6-19)24-21(26)15-25-13-11-16(12-14-25)22(23)27/h3-10,16H,2,11-15H2,1H3,(H2,23,27)(H,24,26)/p+1