[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3OS/c1-2-15-9-11-16(12-10-15)21(19-8-5-13-27-19)23-14-20-24-18-7-4-3-6-17(18)22(26)25-20/h3-13,21,23H,2,14H2,1H3,(H,24,25,26)/p+1/t21-/m1/s1