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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-2-methylbutyl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-2-methylbutyl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-[(2S)-2-methylbutyl]ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-2-methylbutyl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2S)-2-methylbutyl]ammonium Formula: C21H33N4+ MolecularWeight: 341.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH2+]C1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)C[NH2+][C@H]1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

InChI

InChI=1S/C21H32N4/c1-5-15(2)14-22-18-7-6-11-25(12-10-18)21-23-17(4)19-9-8-16(3)13-20(19)24-21/h8-9,13,15,18,22H,5-7,10-12,14H2,1-4H3/p+1/t15-,18-/m0/s1