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

Systemtic Name: N-[1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-(4-acetylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-(4-acetylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/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/h2-10,20H,11-15H2,1H3,(H,23,27)(H,24,28)/p+1