6-chloranyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C17H16ClN3OS/c18-11-5-6-13-12(9-11)17(22)20-16(19-13)10-21-7-1-3-14(21)15-4-2-8-23-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,19,20,22)/p+1/t14-/m0/s1