[(1R)-2,3-dihydro-1H-inden-1-yl]-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: [(1R)-2,3-dihydro-1H-inden-1-yl]-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: [(1R)-indan-1-yl]-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: [(1R)-2,3-dihydro-1H-inden-1-yl]-[(4S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: [(1R)-2,3-dihydro-1H-inden-1-yl]-[(4S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: [(1R)-indan-1-yl]-[(4S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)[NH2+]C4CCC5=CC=CC=C45

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](CC3)[NH2+][C@@H]4CCC5=CC=CC=C45

InChI

InChI=1S/C25H30N4O2S/c1-17-21-11-10-20(32(2,30)31)16-24(21)28-25(26-17)29-14-5-7-19(13-15-29)27-23-12-9-18-6-3-4-8-22(18)23/h3-4,6,8,10-11,16,19,23,27H,5,7,9,12-15H2,1-2H3/p+1/t19-,23+/m0/s1