3-acetamido-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-acetamido-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: 3-acetamido-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]benzamide CAS Name: 3-acetamido-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: 3-acetamido-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]benzamide Traditional Name: 3-acetamido-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]benzamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-16(27)23-20-9-5-6-17(14-20)22(29)25-19-10-12-26(13-11-19)15-21(28)24-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15H2,1H3,(H,23,27)(H,24,28)(H,25,29)/p+1