methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C26H29N4OS+ MolecularWeight: 445.59966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C26H28N4OS/c1-29(16-19-10-12-21(13-11-19)30-14-6-3-7-15-30)17-23-27-25(31)24-22(18-32-26(24)28-23)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,27,28,31)/p+1