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

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[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]-methyl-ammonium Formula: C25H29N4O2S2+ MolecularWeight: 481.65336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S2/c1-17-22-9-8-21(33(3,30)31)15-23(22)27-25(26-17)29-12-10-19(11-13-29)28(2)16-20-14-18-6-4-5-7-24(18)32-20/h4-9,14-15,19H,10-13,16H2,1-3H3/p+1