1-adamantylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1-adamantylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 1-adamantylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=C(C=CS1)C#N)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC(=O)NC1=C(C=CS1)C#N)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3OS/c1-22(11-17(23)21-18-16(10-20)2-3-24-18)12-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15H,4-9,11-12H2,1H3,(H,21,23)/p+1