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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H16ClN3OS/c1-2-9-21(10-12-7-8-15(18)23-12)11-16-19-14-6-4-3-5-13(14)17(22)20-16/h2-8H,1,9-11H2,(H,19,20,22)/p+1