[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]C(C)COC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+][C@@H](C)COC)C

InChI

InChI=1S/C20H30N4O/c1-14-7-8-18-16(3)22-20(23-19(18)12-14)24-10-5-6-17(9-11-24)21-15(2)13-25-4/h7-8,12,15,17,21H,5-6,9-11,13H2,1-4H3/p+1/t15-,17-/m0/s1