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

Systemtic Name: [(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3OS/c1-14-8-10-15(11-9-14)20(18-7-4-12-26-18)22-13-19-23-17-6-3-2-5-16(17)21(25)24-19/h2-12,20,22H,13H2,1H3,(H,23,24,25)/p+1/t20-/m1/s1