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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-methylbutyl)azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-isopentyl-ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(3-methylbutyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-methylbutyl)azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-isoamyl-ammonium Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4/c1-15(2)9-11-22-18-6-5-12-25(13-10-18)21-23-17(4)19-8-7-16(3)14-20(19)24-21/h7-8,14-15,18,22H,5-6,9-13H2,1-4H3/p+1/t18-/m0/s1