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

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]C(C)C4=CC=CS4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+][C@@H](C)C4=CC=CS4)C

InChI

InChI=1S/C22H28N4S/c1-15-8-9-19-16(2)24-22(25-20(19)14-15)26-11-4-6-18(10-12-26)23-17(3)21-7-5-13-27-21/h5,7-9,13-14,17-18,23H,4,6,10-12H2,1-3H3/p+1/t17-,18-/m0/s1