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

Systemtic Name: [(2S)-butan-2-yl]-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: [1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: [1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-methylpropyl]ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)[NH2+]C1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)C(=N2)C

InChI

InChI=1S/C19H28N4O2S/c1-5-13(2)20-15-8-10-23(11-9-15)19-21-14(3)17-7-6-16(26(4,24)25)12-18(17)22-19/h6-7,12-13,15,20H,5,8-11H2,1-4H3/p+1/t13-/m0/s1