N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-thiomorpholin-4-yl-1-piperidin-1-iumyl)methyl]-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-8-methyl-2-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[8-methyl-2-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]quinazolin-4-yl]amine Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCC(CC5)N6CCSCC6

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCC(CC5)N6CCSCC6

InChI

InChI=1S/C26H31N5O2S/c1-18-3-2-4-21-25(18)28-24(16-30-9-7-20(8-10-30)31-11-13-34-14-12-31)29-26(21)27-19-5-6-22-23(15-19)33-17-32-22/h2-6,15,20H,7-14,16-17H2,1H3,(H,27,28,29)/p+1