4-methyl-7-methylsulfonyl-2-[4-[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]piperidin-1-yl]quinazoline

Systemtic Name: 4-methyl-7-methylsulfonyl-2-[4-[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]piperidin-1-yl]quinazoline Openeye Name: 2-[4-[(3S)-3-benzyloxypiperidin-1-ium-1-yl]-1-piperidyl]-4-methyl-7-methylsulfonyl-quinazoline CAS Name: 4-methyl-7-methylsulfonyl-2-[4-[(3S)-3-phenylmethoxy-1-piperidin-1-iumyl]-1-piperidinyl]quinazoline IUPAC Name: 4-methyl-7-methylsulfonyl-2-[4-[(3S)-3-phenylmethoxypiperidin-1-ium-1-yl]piperidin-1-yl]quinazoline Traditional Name: 2-[4-[(3S)-3-benzoxypiperidin-1-ium-1-yl]piperidino]-7-mesyl-4-methyl-quinazoline Formula: C27H35N4O3S+ MolecularWeight: 495.6568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCCC(C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCC[C@@H](C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3S/c1-20-25-11-10-24(35(2,32)33)17-26(25)29-27(28-20)30-15-12-22(13-16-30)31-14-6-9-23(18-31)34-19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22-23H,6,9,12-16,18-19H2,1-2H3/p+1/t23-/m0/s1