4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-(5-chloro-2-thienyl)-4-oxo-butanamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-4-(5-chloro-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-(5-chloro-2-thienyl)-4-keto-butyramide Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC(=O)C2=CC=C(S2)Cl)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC(=O)C2=CC=C(S2)Cl)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3S/c22-19-8-7-18(29-19)17(26)6-9-20(27)23-16-10-12-25(13-11-16)14-21(28)24-15-4-2-1-3-5-15/h1-5,7-8,16H,6,9-14H2,(H,23,27)(H,24,28)/p+1