2-[[4-(1-adamantyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(1-adamantyl)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(1-adamantyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(1-adamantyl)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(1-adamantyl)phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H32N3S+ MolecularWeight: 358.56388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3S/c1-24(2)8-7-22-20(25)23-19-5-3-18(4-6-19)21-12-15-9-16(13-21)11-17(10-15)14-21/h3-6,15-17H,7-14H2,1-2H3,(H2,22,23,25)/p+1