N-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-keto-2-(3-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-26-19-9-5-8-17(14-19)20(24)15-23-12-10-18(11-13-23)22-21(25)16-6-3-2-4-7-16/h5,8-9,14,16,18H,2-4,6-7,10-13,15H2,1H3,(H,22,25)/p+1