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

Systemtic Name: N-[1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-(4-acetylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-16(26)17-7-9-19(10-8-17)23-21(27)15-25-13-11-20(12-14-25)24-22(28)18-5-3-2-4-6-18/h7-10,18,20H,2-6,11-15H2,1H3,(H,23,27)(H,24,28)/p+1