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

Systemtic Name: 1-[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(4-methylphenoxy)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-(4-methylphenoxy)anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H25N3O3/c1-15-2-6-18(7-3-15)27-19-8-4-17(5-9-19)23-20(25)14-24-12-10-16(11-13-24)21(22)26/h2-9,16H,10-14H2,1H3,(H2,22,26)(H,23,25)/p+1