[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-5-12-24(29,13-6-2)17-25-20-8-7-14-28(15-11-20)23-26-19(4)21-10-9-18(3)16-22(21)27-23/h5-6,9-10,16,20,25,29H,1-2,7-8,11-15,17H2,3-4H3/p+1/t20-/m0/s1