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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-methoxy-3-oxidanylidene-propyl)azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-methoxy-3-oxo-propyl)ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(3-methoxy-3-oxopropyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-methoxy-3-oxopropyl)azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-keto-3-methoxy-propyl)ammonium Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-14-6-7-17-15(2)22-20(23-18(17)13-14)24-11-4-5-16(9-12-24)21-10-8-19(25)26-3/h6-7,13,16,21H,4-5,8-12H2,1-3H3/p+1/t16-/m0/s1