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

Systemtic Name: 2-[4-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolin-3-iumyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(6-methyl-4-thiomorpholin-4-ylquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]ethanol Formula: C20H31N5OS+2 MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCN(CC4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)C[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C20H29N5OS/c1-16-2-3-18-17(14-16)20(25-9-12-27-13-10-25)22-19(21-18)15-24-6-4-23(5-7-24)8-11-26/h2-3,14,26H,4-13,15H2,1H3/p+2