1-[(4-fluorophenyl)methyl]-4-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-2-one Openeye Name: 1-[(4-fluorophenyl)methyl]-4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-2-one CAS Name: 1-[(4-fluorophenyl)methyl]-4-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolin-3-iumyl)methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[(6-methyl-4-thiomorpholin-4-ylquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(4-fluorobenzyl)-4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-2-one Formula: C25H30FN5OS+2 MolecularWeight: 467.602003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCN(C(=O)C4)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCN(C(=O)C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H28FN5OS/c1-18-2-7-22-21(14-18)25(30-10-12-33-13-11-30)28-23(27-22)16-29-8-9-31(24(32)17-29)15-19-3-5-20(26)6-4-19/h2-7,14H,8-13,15-17H2,1H3/p+2