N-[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(4-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(4-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(4-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-keto-2-(p-anisidino)ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-19-9-7-17(8-10-19)22-20(25)15-24-13-11-18(12-14-24)23-21(26)16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)/p+1