[4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-chloranylthiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-chloranylthiophen-2-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-chloro-2-thienyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(5-chloro-2-thiophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-chlorothiophen-2-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-chloro-2-thienyl)methanone Formula: C19H26ClN2OS+ MolecularWeight: 365.94054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C19H25ClN2OS/c20-17-2-1-16(24-17)18(23)21-3-5-22(6-4-21)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-2,13-15H,3-12H2/p+1