2-(3-chlorophenyl)ethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: 2-(3-chlorophenyl)ethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: 2-(3-chlorophenyl)ethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: 2-(3-chlorophenyl)ethyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: 2-(3-chlorophenyl)ethyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: 2-(3-chlorophenyl)ethyl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C23H28ClN4O2S+ MolecularWeight: 460.01202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-16-21-7-6-20(31(2,29)30)15-22(21)27-23(26-16)28-12-9-19(10-13-28)25-11-8-17-4-3-5-18(24)14-17/h3-7,14-15,19,25H,8-13H2,1-2H3/p+1