6-bromanyl-3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Formula: C21H27BrN5O3+ MolecularWeight: 477.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H26BrN5O3/c22-16-3-4-18-17(13-16)21(30)27(15-23-18)8-5-19(28)26-11-9-24(10-12-26)14-20(29)25-6-1-2-7-25/h3-4,13,15H,1-2,5-12,14H2/p+1