[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chloro-2-thiophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C19H28ClN2OS+ MolecularWeight: 367.95642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Cl)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Cl)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H27ClN2OS/c1-22(10-16-2-3-17(20)24-16)11-18(23)21-12-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15H,4-12H2,1H3,(H,21,23)/p+1