[5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-(3-thenyl)ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H29N3O2S/c1-26(11-14-4-5-29-13-14)12-19-2-3-20(22(27)24-19)23(28)25-21-17-7-15-6-16(9-17)10-18(21)8-15/h2-5,13,15-18,21H,6-12H2,1H3,(H,24,27)(H,25,28)/p+1