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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-p-anisyl-ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+]CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H30N4O/c1-17-6-11-22-18(2)26-24(27-23(22)15-17)28-13-4-5-20(12-14-28)25-16-19-7-9-21(29-3)10-8-19/h6-11,15,20,25H,4-5,12-14,16H2,1-3H3/p+1/t20-/m0/s1