1-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C26H32ClN4O3+ MolecularWeight: 484.01028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2(CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H31ClN4O3/c27-20-9-10-22(21(17-20)24(33)19-7-3-1-4-8-19)29-23(32)18-30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,28,34)(H,29,32)/p+1