[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C18H26BrN2OS+ MolecularWeight: 398.38084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H25BrN2OS/c1-21(10-15-2-3-16(19)23-15)11-17(22)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,12-14H,4-11H2,1H3,(H,20,22)/p+1