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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-phenethyl-azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-phenethyl-ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-phenethylammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-phenethylazanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-phenethyl-ammonium Formula: C24H31N4+ MolecularWeight: 375.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+]CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H30N4/c1-18-10-11-22-19(2)26-24(27-23(22)17-18)28-15-6-9-21(13-16-28)25-14-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,21,25H,6,9,12-16H2,1-2H3/p+1/t21-/m0/s1