[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium

Systemtic Name: [(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Openeye Name: [(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]-[(1R)-1-methyl-2-(3-thienyl)ethyl]ammonium CAS Name: [(4S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-azepanyl]-[(2R)-1-(3-thiophenyl)propan-2-yl]ammonium IUPAC Name: [(4S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Traditional Name: [(4S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1R)-1-methyl-2-(3-thienyl)ethyl]ammonium Formula: C23H31N4O2S2+ MolecularWeight: 459.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)[NH2+]C(C)CC4=CSC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](CC3)[NH2+][C@H](C)CC4=CSC=C4

InChI

InChI=1S/C23H30N4O2S2/c1-16(13-18-9-12-30-15-18)24-19-5-4-10-27(11-8-19)23-25-17(2)21-7-6-20(31(3,28)29)14-22(21)26-23/h6-7,9,12,14-16,19,24H,4-5,8,10-11,13H2,1-3H3/p+1/t16-,19+/m1/s1