[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-yl-methyl]-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: [(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-yl-methyl]-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: [(S)-[4-[(1R)-1-methylpropyl]phenyl]-(2-thienyl)methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: [(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: [(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-[(S)-[4-[(1R)-1-methylpropyl]phenyl]-(2-thienyl)methyl]ammonium Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+][C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H27N3OS/c1-4-16(2)18-11-13-19(14-12-18)23(22-10-7-15-30-22)26-17(3)24-27-21-9-6-5-8-20(21)25(29)28-24/h5-17,23,26H,4H2,1-3H3,(H,27,28,29)/p+1/t16-,17+,23+/m1/s1