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

Systemtic Name: 1-adamantyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C17H21N3OS/c18-9-14-1-2-22-16(14)20-15(21)10-19-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,11-13,19H,3-8,10H2,(H,20,21)/p+1