[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]CC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH2+]C[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H28N4O4S/c1-16-20-8-7-19(33(2,29)30)13-21(20)27-24(26-16)28-11-9-17(10-12-28)25-14-18-15-31-22-5-3-4-6-23(22)32-18/h3-8,13,17-18,25H,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1