1-[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazoline-2,4-dione

Systemtic Name: 1-[3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazoline-2,4-dione Openeye Name: 1-[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]quinazoline-2,4-dione CAS Name: 1-[3-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]quinazoline-2,4-dione IUPAC Name: 1-[3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]quinazoline-2,4-dione Traditional Name: 1-[3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]quinazoline-2,4-quinone Formula: C20H22BrN4O3S+ MolecularWeight: 478.38268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C20H21BrN4O3S/c21-17-6-5-14(29-17)13-23-9-11-24(12-10-23)18(26)7-8-25-16-4-2-1-3-15(16)19(27)22-20(25)28/h1-6H,7-13H2,(H,22,27,28)/p+1