4-(1-adamantyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-adamantyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-adamantyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-adamantyl)-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-adamantyl)-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-adamantyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C23H34N3S+ MolecularWeight: 384.60116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=S)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C23H33N3S/c27-22(24-7-6-18-4-2-1-3-5-18)25-8-10-26(11-9-25)23-15-19-12-20(16-23)14-21(13-19)17-23/h1-5,19-21H,6-17H2,(H,24,27)/p+1