[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium

Systemtic Name: [1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S/c1-5-11-23(28,12-6-2)16-24-18-9-13-27(14-10-18)22-25-17(3)20-8-7-19(31(4,29)30)15-21(20)26-22/h5-8,15,18,24,28H,1-2,9-14,16H2,3-4H3/p+1