1-adamantyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H29N3O2S/c25-19(14-22-21-11-15-8-16(12-21)10-17(9-15)13-21)23-3-5-24(6-4-23)20(26)18-2-1-7-27-18/h1-2,7,15-17,22H,3-6,8-14H2/p+1