(5-chloranylthiophen-2-yl)methyl-ethyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-ethyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-ethyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]ammonium Formula: C17H19ClN3OS+ MolecularWeight: 348.87026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Cl)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Cl)[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H18ClN3OS/c1-3-21(10-12-8-9-15(18)23-12)11(2)16-19-14-7-5-4-6-13(14)17(22)20-16/h4-9,11H,3,10H2,1-2H3,(H,19,20,22)/p+1/t11-/m1/s1