(3-chloranyl-1-benzothiophen-2-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (3-chlorobenzothiophen-2-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (3-chloro-1-benzothiophen-2-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (3-chlorobenzothiophen-2-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H19ClN3OS+ MolecularWeight: 384.90236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C2=CC=CC=C2S1)Cl)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[NH+](CC1=C(C2=CC=CC=C2S1)Cl)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H18ClN3OS/c1-2-24(11-17-19(21)14-8-4-6-10-16(14)26-17)12-18-22-15-9-5-3-7-13(15)20(25)23-18/h3-10H,2,11-12H2,1H3,(H,22,23,25)/p+1