1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H23N3O3/c1-11-3-4-14(22-2)13(9-11)18-15(20)10-19-7-5-12(6-8-19)16(17)21/h3-4,9,12H,5-8,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1