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

Systemtic Name: (2-methoxyphenyl)-[4-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-3-ium-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methoxyphenyl)-[4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazin-1-yl]methanone CAS Name: (2-methoxyphenyl)-[4-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolin-3-iumyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxyphenyl)-[4-[(6-methyl-4-thiomorpholin-4-ylquinazolin-3-ium-2-yl)methyl]piperazin-1-yl]methanone Traditional Name: (2-methoxyphenyl)-[4-[(6-methyl-4-thiomorpholino-quinazolin-3-ium-2-yl)methyl]piperazino]methanone Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)CN4CCN(CC4)C(=O)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C([NH+]=C2N3CCSCC3)CN4CCN(CC4)C(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C26H31N5O2S/c1-19-7-8-22-21(17-19)25(30-13-15-34-16-14-30)28-24(27-22)18-29-9-11-31(12-10-29)26(32)20-5-3-4-6-23(20)33-2/h3-8,17H,9-16,18H2,1-2H3/p+1