[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium Formula: C23H31N4S+ MolecularWeight: 395.58404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]C(C)CC4=CC=CS4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+][C@H](C)CC4=CC=CS4)C

InChI

InChI=1S/C23H30N4S/c1-16-8-9-21-18(3)25-23(26-22(21)14-16)27-11-4-6-19(10-12-27)24-17(2)15-20-7-5-13-28-20/h5,7-9,13-14,17,19,24H,4,6,10-12,15H2,1-3H3/p+1/t17-,19+/m1/s1