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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(2-methoxyethyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)ammonium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-14-6-7-17-15(2)21-19(22-18(17)13-14)23-10-4-5-16(8-11-23)20-9-12-24-3/h6-7,13,16,20H,4-5,8-12H2,1-3H3/p+1/t16-/m0/s1