N-[1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-phenyl-ethanamide

Systemtic Name: N-[1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-phenyl-ethanamide Openeye Name: N-[1-[2-(3,4-dichloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-phenyl-acetamide CAS Name: N-[1-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-phenylacetamide IUPAC Name: N-[1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-phenylacetamide Traditional Name: N-[1-[2-(3,4-dichloroanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-phenyl-acetamide Formula: C21H24Cl2N3O2+ MolecularWeight: 421.34016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)25-21(28)14-26-10-8-16(9-11-26)24-20(27)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,24,27)(H,25,28)/p+1