methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]-[2-(4-methylphenoxy)ethyl]azanium

Systemtic Name: methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]-[2-(4-methylphenoxy)ethyl]azanium Openeye Name: methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: methyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-[2-(4-methylphenoxy)ethyl]ammonium IUPAC Name: methyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]-[2-(4-methylphenoxy)ethyl]azanium Traditional Name: [1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]-methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+](C)C2CCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+](C)C2CCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

InChI

InChI=1S/C25H32N4O3S/c1-18-5-7-21(8-6-18)32-16-15-28(3)20-11-13-29(14-12-20)25-26-19(2)23-10-9-22(33(4,30)31)17-24(23)27-25/h5-10,17,20H,11-16H2,1-4H3/p+1