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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-isopropoxypropyl)ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(3-isopropoxypropyl)ammonium Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O/c1-16(2)27-14-6-11-23-19-7-5-12-26(13-10-19)22-24-18(4)20-9-8-17(3)15-21(20)25-22/h8-9,15-16,19,23H,5-7,10-14H2,1-4H3/p+1/t19-/m0/s1