2-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-oxo-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propyl]-1H-quinazolin-4-one CAS Name: 2-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(2-thenyl)piperazin-4-ium-1-yl]propyl]-1H-quinazolin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O2S/c25-19(24-11-9-23(10-12-24)14-15-4-3-13-27-15)8-7-18-21-17-6-2-1-5-16(17)20(26)22-18/h1-6,13H,7-12,14H2,(H,21,22,26)/p+1