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

Systemtic Name: 2-(furan-2-yl)ethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: 2-(2-furyl)ethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: 2-(2-furanyl)ethyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: 2-(furan-2-yl)ethyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: 2-(2-furyl)ethyl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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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=CO4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CCC4=CC=CO4

InChI

InChI=1S/C21H26N4O3S/c1-15-19-6-5-18(29(2,26)27)14-20(19)24-21(23-15)25-11-8-16(9-12-25)22-10-7-17-4-3-13-28-17/h3-6,13-14,16,22H,7-12H2,1-2H3/p+1