naphthalen-1-ylmethyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: naphthalen-1-ylmethyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(1-naphthylmethyl)-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1-naphthalenylmethyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(naphthalen-1-ylmethyl)-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: benzyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-(1-naphthylmethyl)ammonium Formula: C25H22N3OS+ MolecularWeight: 412.52668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC3=CC=CC=C32)CC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC3=CC=CC=C32)CC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C25H21N3OS/c29-25-24-22(13-14-30-24)26-23(27-25)17-28(15-18-7-2-1-3-8-18)16-20-11-6-10-19-9-4-5-12-21(19)20/h1-14H,15-17H2,(H,26,27,29)/p+1