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

Systemtic Name: N-[1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-(4-acetylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H27N3O3/c1-16-5-3-4-6-21(16)23(29)25-20-11-13-26(14-12-20)15-22(28)24-19-9-7-18(8-10-19)17(2)27/h3-10,20H,11-15H2,1-2H3,(H,24,28)(H,25,29)/p+1