1-benzothiophen-2-ylmethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C24H27N4O2S2+ MolecularWeight: 467.62678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N4O2S2/c1-16-21-8-7-20(32(2,29)30)14-22(21)27-24(26-16)28-11-9-18(10-12-28)25-15-19-13-17-5-3-4-6-23(17)31-19/h3-8,13-14,18,25H,9-12,15H2,1-2H3/p+1