(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: (6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: (6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl-methyl-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: (6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl-methyl-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: (6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+](C)CC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+](C)CC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H28N4OS/c1-3-19-13-20-21(28-19)23-15-26(22(20)27)16-24(2)14-17-7-9-18(10-8-17)25-11-5-4-6-12-25/h7-10,13,15H,3-6,11-12,14,16H2,1-2H3/p+1