1-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(4-iodoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-iodoanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(4-iodoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(4-iodoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H25IN3O2+ MolecularWeight: 478.34657

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C21H24IN3O2/c22-18-6-8-19(9-7-18)24-20(26)15-25-12-10-17(11-13-25)21(27)23-14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)/p+1