(2,2-dimethyl-3-oxidanyl-propyl)-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl)-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(3-hydroxy-2,2-dimethylpropyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethylpropyl)azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-15-7-8-18-16(2)23-20(24-19(18)12-15)25-10-5-6-17(9-11-25)22-13-21(3,4)14-26/h7-8,12,17,22,26H,5-6,9-11,13-14H2,1-4H3/p+1/t17-/m0/s1