N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C19H34N3OS+ MolecularWeight: 352.55776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CC[NH+](CC4)CCO

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C19H33N3OS/c1-14(19-11-15-8-16(12-19)10-17(9-15)13-19)20-18(24)22-4-2-21(3-5-22)6-7-23/h14-17,23H,2-13H2,1H3,(H,20,24)/p+1/t14-,15?,16?,17?,19?/m1/s1