4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexyl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-thiophen-2-yl-cyclohexyl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[[2,6-dioxo-4-(2-thienyl)cyclohexyl]methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexyl)methylideneamino]ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[(2,6-dioxo-4-thiophen-2-ylcyclohexyl)methylideneamino]ethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[[2,6-diketo-4-(2-thienyl)cyclohexyl]methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCN=CC2C(=O)CC(CC2=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c29-21-15-18(23-7-4-14-32-23)16-22(30)20(21)17-25-8-9-27-10-12-28(13-11-27)24(31)26-19-5-2-1-3-6-19/h1-7,14,17-18,20H,8-13,15-16H2,(H,26,31)/p+1