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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H20N4O2S/c24-18(12-23-14-20-17-4-2-1-3-16(17)19(23)25)22-8-6-21(7-9-22)11-15-5-10-26-13-15/h1-5,10,13-14H,6-9,11-12H2/p+1