3-methyl-1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]butan-1-one Openeye Name: 3-methyl-1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]piperidin-1-ium-3-yl]butan-1-one CAS Name: 3-methyl-1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-3-piperidin-1-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[(3S)-1-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]butan-1-one Traditional Name: 1-[(3S)-1-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]piperidin-1-ium-3-yl]-3-methyl-butan-1-one Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCCC(C4)C(=O)CC(C)C

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCC[C@@H](C4)C(=O)CC(C)C

InChI

InChI=1S/C25H36N4O3S/c1-17(2)14-24(30)19-6-5-11-29(16-19)20-9-12-28(13-10-20)25-26-18(3)22-8-7-21(33(4,31)32)15-23(22)27-25/h7-8,15,17,19-20H,5-6,9-14,16H2,1-4H3/p+1/t19-/m0/s1